RUTIN (CED0001561)

Record Information

Version

1.0

Creation Date

2016-05-19 02:25:36 UTC

Update Date

2026-05-14 17:13:19 UTC

Accession Number

CHEM007436

Identification

Common Name

RUTIN

Class

Small Molecule

Description

RUTIN belongs to the flavonoid glycosides, a subclass of flavonoids within the organic compounds. With an average molecular weight of 610.52 g/mol, RUTIN is a heavy molecule with the formula C27H30O16. Biologically, it functions as a ligand (PMC12540936), an antioxidant (PMC11478989, PMC11548494, PMC11643819, PMC13031289, PMC13470057), and an iron chelator (PMC13470057). In industrial applications, it is used as a stabilizer (PMC9918917) and as a nutrient and flavouring (PMC11478989, PMC11548494, PMC11643819, PMC13031289, PMC13470057). It is further classified biologically as part of the flavonoids (PMC11832627). The compound acts as an inhibitor of Carbonyl reductase [NADPH] 1 (CBR1) and Aldo-keto reductase family 1 member C3 (AKR1C3). RUTIN is found in 36 recorded sources, including healthcare, pharmaceuticals & veterinary products such as medical devices and vasoprotectives; electrical & electronic equipment including batteries, cell phones, capacitors, printed circuit boards, and wires and cables; food, food processing & cookware including the preparation of malt, molasses and treatment of molasses, cellar tools, food packaging, and agglomerated sugar products; building & construction including fencing and ceilings; textiles, leather & furnishings including carpets, rugs, and synthetic textiles; and household cleaning & consumer products such as soap dispensers, other smoking requisites, tobacco product cases, and non electric simulated smoking devices. Exposure routes include oral, inhalation, and touch. The compound exhibits therapeutic effects on inflammation (PMC11478989, PMC12968236, PMC13031289, PMC13470057, PMC3872418), hyperglycemia (PMC12968236, PMC9379957), proteinuria (PMC12968236), and type 2 diabetes mellitus (PMC11478989). It is associated with therapeutic effects on glioblastoma (PMC12466395), colon cancer (PMC6130576), diabetic neuropathy (PMC9423984), anxiety (PMC10831359), seizure (PMC10831359), necrosis (PMC13470057), hypertension (PMC13470057), Alzheimer's disease (PMC13470057), and Parkinson's disease (PMC13470057). Additionally, it is a treatment for hepatic steatosis (PMC13470057), hepatitis (PMC13470057), and hypertension (PMC13470057).

Contaminant Type

PFAS
Phytotoxin

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	ChEBI
3-Rhamnoglucosylquercetin	ChEBI
3-Rutinosyl quercetin	ChEBI
Phytomelin	ChEBI
Quercetin 3-rutinoside	ChEBI
Quercetin-3-rutinoside	ChEBI
Rutoside	ChEBI
Venoruton	Kegg
3-[[6-O-(6-Deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	Generator
3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	Generator
3-Rhamnosyl-glucosyl quercetin	MeSH
Quercetin 3 rutinoside	MeSH
Quercetin, 3-rhamnosyl-glucosyl	MeSH
3,3',4',5,7-Pentahydroxyflavone-3-rutinoside	HMDB
3-Rhamnoglucoside OF 3,3',4',5,7-pentahydroxyflavone	HMDB
beta-Quercetin-3-rutinoside	HMDB
Bioflavonoid	HMDB
Birutan	HMDB
Birutan forte	HMDB
Birutin	HMDB
Eldrin	HMDB
Globulariacitrin	HMDB
Globularicitrin	HMDB
Ilixanthin	HMDB
Melin	HMDB
Myrticolorin	HMDB
Neoisorutin	HMDB
Osyritrin	HMDB
Oxyritin	HMDB
Paliuroside	HMDB
Quercetin 3-O-beta-D-rutinoside	HMDB
Quercetin 3-O-beta-delta-rutinoside	HMDB
Quercetin 3-O-rutinoside	HMDB
Quercetin 3-rhamnoglucoside	HMDB
Quercetin rhamnoglucosine	HMDB
Quercetin-3beta-rutinoside	HMDB
Quercetol 3-rhamnoglucoside	HMDB
Quercitin 3-rutinoside	HMDB
RUT	HMDB
Rutabion	HMDB
Rutin trihydrate	HMDB
Rutine	HMDB
Rutinic acid	HMDB
Rutinion acid	HMDB
Rutinum	HMDB
Rutosid	HMDB
Rutosido	HMDB
Rutosidum	HMDB
Rutozyd	HMDB
Sophorin	HMDB
Tanrutin	HMDB
Violaquercitrin	HMDB
Vitamin P	HMDB
Rutin	KEGG
3,3',4',5,7-Pentahydroxyflavone 3-O-rutinoside	PhytoBank
3,3’,4’,5,7-Pentahydroxyflavone 3-O-rutinoside	PhytoBank
3,3',4',5,7-Pentahydroxyflavone 3-rutinoside	PhytoBank
3,3’,4’,5,7-Pentahydroxyflavone 3-rutinoside	PhytoBank
3-O-Rutinosylquercetin	PhytoBank
3-Rutinosylquercetin	PhytoBank
5,7,3',4'-Tetrahydroxyflavonol-3-O-rutinoside	PhytoBank
5,7,3’,4’-Tetrahydroxyflavonol-3-O-rutinoside	PhytoBank
Ilixathin	PhytoBank
Myrticalorin	PhytoBank
Myticolorin	PhytoBank
Quercetin 3-(6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranoside)	PhytoBank
Quercetin 3-(6-O-α-L-rhamnopyranosyl-β-D-glucopyranoside)	PhytoBank
Quercetin 6-O-alpha-L-rhamnosyl-beta-D-glucoside	PhytoBank
Quercetin 6-O-α-L-rhamnosyl-β-D-glucoside	PhytoBank
Quercetin-3-O-[alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside]	PhytoBank
Quercetin-3-O-[α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside]	PhytoBank
Quercetin 3-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside	PhytoBank
Quercetin 3-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside	PhytoBank
Quercetin 3-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranoside	PhytoBank
Quercetin 3-O-α-L-rhamnopyranosyl-β-D-glucopyranoside	PhytoBank
Quercetin 3-O-alpha-rhamnopyranosyl(1''->6')-beta-D-glucopyranoside	PhytoBank
Quercetin 3-O-α-rhamnopyranosyl(1''→6')-β-D-glucopyranoside	PhytoBank
Quercetin 3-O-α-rhamnopyranosyl(1’’→6’)-β-D-glucopyranoside	PhytoBank
Quercetin 3-O-alpha-rhamnopyranosyl(1->6)-beta-glucopyranoside	PhytoBank
Quercetin 3-O-α-rhamnopyranosyl(1→6)-β-glucopyranoside	PhytoBank
Quercetin 3-O-alpha-rhamnopyranosyl-(1'''->6'')-beta-glucopyranoside	PhytoBank
Quercetin 3-O-α-rhamnopyranosyl-(1'''→6'')-β-glucopyranoside	PhytoBank
Quercetin 3-O-α-rhamnopyranosyl-(1’’’→6’’)-β-glucopyranoside	PhytoBank
Quercetin 3-O-beta-D-(6''-O-alpha-L-rhamnopyranosyl)glucopyranoside	PhytoBank
Quercetin 3-O-β-D-(6''-O-α-L-rhamnopyranosyl)glucopyranoside	PhytoBank
Quercetin 3-O-β-D-(6’’-O-α-L-rhamnopyranosyl)glucopyranoside	PhytoBank
Quercetin 3-O-β-D-rutinoside	PhytoBank
Quercetin 3-O-beta-rutinoside	PhytoBank
Quercetin 3-O-β-rutinoside	PhytoBank
Quercetin 3-beta-rutinoside	PhytoBank
Quercetin 3-β-rutinoside	PhytoBank
Quercetin-3-O-[alpha-L-rhamnopyranosyl-(1→6)-beta-D-glucopyranoside]	PhytoBank
Quercetin 3-O-alpha-L-rhamnopyranosyl-(1→6)-beta-D-glucopyranoside	PhytoBank
Quercetin 3-O-alpha-rhamnopyranosyl(1''→6')-beta-D-glucopyranoside	PhytoBank
Quercetin 3-O-alpha-rhamnopyranosyl(1→6)-beta-glucopyranoside	PhytoBank
Quercetin 3-O-alpha-rhamnopyranosyl-(1'''→6'')-beta-glucopyranoside	PhytoBank
Quercetin rutinoside	PhytoBank
Rutozid	PhytoBank
Violaquercetrin	PhytoBank

Chemical Formula

C₂₇H₃₀O₁₆

Average Molecular Mass

610.518 g/mol

Monoisotopic Mass

610.153 g/mol

CAS Registry Number

153-18-4

IUPAC Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one

Traditional Name

troxerutin

SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1

InChI Key

IKGXIBQEEMLURG-NVPNHPEKSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

Flavonoid-3-o-glycoside
Hydroxyflavonoid
Flavone
3'-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
O-glycosyl compound
Glycosyl compound
Disaccharide
Chromone
1-benzopyran
Benzopyran
Catechol
1-hydroxy-2-unsubstituted benzenoid
Phenol
1-hydroxy-4-unsubstituted benzenoid
Pyranone
Monocyclic benzene moiety
Benzenoid
Pyran
Oxane
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Acetal
Polyol
Organic oxide
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

rutinoside (CHEBI:28527 )
disaccharide derivative (CHEBI:28527 )
tetrahydroxyflavone (CHEBI:28527 )
quercetin O-glucoside (CHEBI:28527 )
flavonols (C05625 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	3.54 g/L	ALOGPS
logP	0.15	ALOGPS
logP	-0.87	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	6.37	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	265.52 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	140.15 m³·mol⁻¹	ChemAxon
Polarizability	57.08 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-052p-7581190000-d9593c696e6c6e2454ed	Not Available	View Spectrum
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Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0000009000-a6b8403579a83c69506b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0002009000-ffacf122369038644c02	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0w29-5009015000-f74826ba5205775d12b8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0003109000-85542c3510756d258e11	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0ik9-0008109000-f0d08078ad4b887cce0d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0000009000-f07697affe03ff93dad3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-1b117e308c1ab00aa4a7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0000009000-270308e3f77a0404dea8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0010009000-f94b0edacf4c3bc9c9e3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0049001000-8327d9d15b0d22a0c968	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0000009000-270308e3f77a0404dea8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0010009000-f94b0edacf4c3bc9c9e3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0049001000-8327d9d15b0d22a0c968	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009100000-dfc0a2b72193a5072dde	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0000009000-dd163a2a17fe559c3482	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0000009000-7b408d31853f85c12619	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0001009000-3a559cbd175dfd7bafc9	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009005000-a090fd87b44b66b9f0c0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-8454cc7afaccaa2be7ac	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-188aab377f9eecd8695d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-8027e3471abd62fb2791	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-5ec73bcca3286a80f7c6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-ea0de1e1b0699fa8401d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-a8dce85d4d31db22026b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-2376e0472b15420aba8f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0000009002-ae4978beb8ec8448d966	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0000009002-c7f26693cd399d8d8302	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0049001000-8327d9d15b0d22a0c968	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0zfr-0118009000-bbfe9a963d6e073b31aa	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0004409000-c9657d18e3d38620d7c0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009300000-ff0584aa53087380857c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-d8e250bcd87201ff91d8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-cb501d427defe87144e1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-382e4e2175615ff65850	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0wmi-0009506000-98ca7f7c8f3072af4481	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0wmi-0009506000-717207d912e0da3f0ec1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-c8c1fc25375ea6875243	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0019000000-92c9eb453c2b2bb6047f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009300000-d5183f81716bf8deb8ee	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-a790b0597ebf4b0f07f0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-707a876bedc341afce24	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0029300000-a6374dbb49e6d5bf31ae	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0uxr-0029400000-47da08e5dc97e23c44bf	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0549220000-79a7fad4164d8e1f5d57	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0179020000-363093d6c7189d2ca5b7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-1b117e308c1ab00aa4a7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009100000-580b79451bd64dfcab03	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009100000-8bbfe0044ae8800be3c8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0009300000-caaa9f9ce4563b800c19	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0009300000-e598235294a3f55f962b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009200000-f9d3912b5e9bcc4aa4a6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009200000-031817287b54fa353ecd	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0009200000-2bf263364eccf1425f98	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0009200000-6c976c714e8f9a7558af	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0001319000-2f06049e21fa11589fb7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0001319000-4c4d3b0053f951060192	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009200000-e1502b5888ff7ad6d318	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009100000-6d0bd005bd7b223c7cf5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0009100000-3b95244720444d2f3d13	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0009200000-25001dbcf8355eaf8bd0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0006-0016951000-1a24ae1c026ee49c0b0b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0006-0017961000-90d27c883fd31667a17c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001r-1010105009-fe5059a016b66f6e6508	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-1010105009-aca266334d999e83075f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0ika-0080109107-1d617056ba5c260c56b0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udm-0230119117-ddbbc348bb71199c4af9	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009100000-c5715285ddf62f77c126	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-4a64a91365b6888199d3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0001009000-be5fbd1a3dc6eb89cea6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-23333b29a9bee8fc42cc	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-d8e250bcd87201ff91d8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-cb501d427defe87144e1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0wmi-0009607000-8f0b66b3e1c0f29e82f2	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009300000-ff0584aa53087380857c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0004409000-c9657d18e3d38620d7c0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-1019000000-40d5c600689385ba7f1d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0wmi-0009506000-f326c6ff08ff3d952455	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-382e4e2175615ff65850	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0wmi-0009506000-98ca7f7c8f3072af4481	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-2fdd2cda24720b6cf4e0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009300000-2b4c23184bdff8f912ae	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-c8c1fc25375ea6875243	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0wmi-0009505000-16536dbb939d0a3e869f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0019000000-ffc0bf3fb996a35f3e3b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-1019000000-897c4d669c479911fbfd	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0029300000-47bfd83ead73edbb7250	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-f56dd0ebbb2018baaacd	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0049001000-03fb66e35ebc6ffae292	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-0abf99599f38cfdd97af	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0002009000-d5dbcb55db4f95c64dc5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009100000-aa1a725c5c7667e88e9f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0uxr-0029400000-99610463bb02c0e21304	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0019000000-5154a76de413d6d645aa	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0wmi-0009607000-e90c7fda683390aacfa5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009200000-334fc77b9e808e84f34a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-8454cc7afaccaa2be7ac	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-1119000000-8d713e80ef2efbc03704	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-1dfefee63db6646047a9	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009005000-74c3aef8d6bd7cc2e5c3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-2009000000-c12415e563153f52cbcf	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0000009000-032fe7a5c78c40d8a6a2	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-2e4474ddbdbe16b5c774	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0000009000-dd163a2a17fe559c3482	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0000009000-114695532f638eb27816	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009001000-0d172fe2d27800ee88e5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0ik9-0006409000-db4319f88414b06c48d3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0001009000-3a559cbd175dfd7bafc9	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-1219000000-88c3f90b9d17d4b64152	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009005000-a090fd87b44b66b9f0c0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-c1b07c85331171c2c9a3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0000009000-7b408d31853f85c12619	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-b80d57cd99220b63f73d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0129000000-53b086a4ec94012816e5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0001009000-ed9655641d6c2f03ea5e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0004409000-635b1d5a64446ab8261f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-a66bcadfa526d1eeb82a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0ik9-0009508000-b4fd726bc9711880941c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-c0b1f7646006d4942293	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0000009000-46d02dad428477114124	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-f7ca70123226a5d47c7c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009100000-d16f1211efe55b6f6371	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-e23b5fcb1112e3dae136	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0ik9-0006409000-5fb3aa423543b320dc8a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0019000000-49dc0db08944890e3646	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009300000-2e114968e7eed38b6835	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009001000-67ac58cf6be5943a3200	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-2d77b4f5c9ff7ca8885f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-1119000000-a0f78368a214977c38e1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-1119000000-35e6d34c48f007273911	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0139143000-0b231bbaf0f8cd578ce9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0249200000-5766b78c90749219634c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udr-1955000000-49ac7b74c557179bbcae	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0pb9-5539337000-13a750c25d00b7185c08	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-3539010000-707593795636ef3841c1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-3966000000-61676ecb8f5b5e514760	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0000009000-46fcfcc5d755a35fcf8f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0pb9-0005009000-a5c1c8ec4d0bab88976a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0019001000-b9d00ee4f120c75adebc	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0009002000-7a6fa616aa3e23b89d44	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0ik9-0009009000-0f587058245221a67239	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0009000000-58b2754f892c40f07699	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
8565.0	Log mg/kg	[4800:15000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference
hypertension	is_treatment_for	Not Available	PMC13470057
hypertension	has_therapeutic_effect_on	Not Available	PMC13470057
inflammation	has_therapeutic_effect_on	Not Available	PMC11478989 , PMC12968236 , PMC13031289 , PMC13470057 , PMC13470057 , PMC13470057 , PMC3872418
Alzheimer's disease	has_therapeutic_effect_on	Not Available	PMC13470057
type 2 diabetes mellitus	has_therapeutic_effect_on	Not Available	PMC11478989
necrosis	has_therapeutic_effect_on	Not Available	PMC13470057
colon cancer	has_therapeutic_effect_on	Not Available	PMC6130576
hepatitis	is_treatment_for	Not Available	PMC13470057
anxiety	has_therapeutic_effect_on	Not Available	PMC10831359
glioblastoma	has_therapeutic_effect_on	Not Available	PMC12466395
seizure	has_therapeutic_effect_on	Not Available	PMC10831359
proteinuria	has_therapeutic_effect_on	Not Available	PMC12968236
hyperglycemia	has_therapeutic_effect_on	Not Available	PMC12968236 , PMC9379957
diabetic neuropathy	has_therapeutic_effect_on	Not Available	PMC9423984
Parkinson's disease	has_therapeutic_effect_on	Not Available	PMC13470057
hepatic steatosis	is_treatment_for	Not Available	PMC13470057
ulcerative colitis	has_therapeutic_effect_on	Not Available	PMC13470057
chronic venous insufficiency	is_treatment_for	Not Available	PMC13470057

Exposure Sources

Source ID	Source	Sector	Reference
7	Pesticides	Agriculture & land management	Not Available
19	Indoor air	Air, dust & atmospheric transport	Not Available
115	Drinking water	Drinking water & water supply	Not Available
120	Wires and cables	Electrical & Electronic Equipment	Not Available
121	Printed circuit boards	Electrical & Electronic Equipment	Not Available
125	Batteries	Electrical & Electronic Equipment	Not Available
130	Semiconductors	Electrical & Electronic Equipment	Not Available
138	Lubricants	Energy, oil & gas	Not Available
147	Food packaging	Food, food processing & cookware	Not Available
174	Lubricants	Industrial manufacturing & chemical processing	Not Available
234	Medical devices	Healthcare, pharmaceuticals & veterinary products	Not Available
292	Vasoprotectives	Healthcare, pharmaceuticals & veterinary products	Not Available
451	Carpets and Rugs	Textiles, leather & furnishings	Not Available
454	Synthetic textiles	Textiles, leather & furnishings	Not Available
490		Personal care & cosmetics	Not Available
492	Cell phones	Electrical & Electronic Equipment	Not Available
493	Capacitors	Electrical & Electronic Equipment	Not Available
495	Ceilings	Building & Construction	Not Available
496	Fencing	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
541	Agglomerated Sugar Products	Food, food processing & cookware	Not Available
543	Cellar Tools	Food, food processing & cookware	Not Available
546	Molasses And Treatment Of Molasses	Food, food processing & cookware	Not Available
547	Preparation Of Malt	Food, food processing & cookware	Not Available
548	Preparation Of Vinegar	Food, food processing & cookware	Not Available
549	Preparation Of Wine Or Sparkling Wine	Food, food processing & cookware	Not Available
550	Preparation Of Wort	Food, food processing & cookware	Not Available
551	Processing Fish	Food, food processing & cookware	Not Available
553	Treatment Of Hops	Food, food processing & cookware	Not Available
559	Non Electric Simulated Smoking Devices	Household cleaning & consumer products	Not Available
560	Other Smoking Requisites	Household cleaning & consumer products	Not Available
564	Soap Dispensers	Household cleaning & consumer products	Not Available
567	Tobacco Product Cases	Household cleaning & consumer products	Not Available
573	Key Rings	Household items	Not Available
578	Making Cigars	Industrial manufacturing & chemical processing	Not Available
598	Fertiliser Distributors	Agriculture & land management	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
616	Face Mask Cosmetics	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
634	Buckles	Textiles, leather & furnishings	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available
656	Snap Fasteners	Textiles, leather & furnishings	Not Available
658	Touch Fasteners	Textiles, leather & furnishings	Not Available

Pathways

1 pathway

Rutin Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	0.544945
Click to view 3D structure	Nonstructural protein 5	V5TFZ2	Dengue virus	Predicted (SEA)	0.0778492
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P07943	Rattus norvegicus	Predicted (SEA)	0.778492
Click to view 3D structure	Lysine-specific histone demethylase 1A	O60341	Humans	Predicted (SEA)	0.467095
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	3.73676
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	1.08989
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	2.02408
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	2.88042
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	0.544945
Click to view 3D structure	Arginase	O96394	Leishmania amazonensis	Predicted (SEA)	0.233548
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	5.3716
Click to view 3D structure	Beta-secretase 1	P56817	Humans	Predicted (SEA)	9.88685
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	22.8098
Click to view 3D structure	NADPH oxidase 4	Q9NPH5	Humans	Predicted (SEA)	0.544945
Click to view 3D structure	Xanthine dehydrogenase/oxidase	P47989	Humans	Predicted (SEA)	1.71268
Click to view 3D structure	D-alanine--D-alanine ligase	Q1CTD3	Helicobacter pylori (strain HPAG1)	Predicted (SEA)	1.01204
Click to view 3D structure	Aldo-keto reductase family 1 member C21	Q91WR5	Mus musculus	Predicted (SEA)	1.01204
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	118.642
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	17.3604
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P16116	Bos taurus	Predicted (SEA)	1.55698
Click to view 3D structure	High mobility group protein B1	P09429	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Intestinal-type alkaline phosphatase	P09923	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Inositol hexakisphosphate kinase 2	Q9UHH9	Humans	Predicted (SEA)	4.35956
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	79.4062
Click to view 3D structure	Cytochrome P450 1B1	Q16678	Humans	Predicted (SEA)	15.8812