| Identification |
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| Common Name | DIHYDRONOOTKATONE |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | - EAFUS Chemicals
- FooDB Chemicals
|
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| 1,10-Dihydronootkatone | MeSH |
|
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| Chemical Formula | C15H24O |
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| Average Molecular Mass | 220.356 g/mol |
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| Monoisotopic Mass | 220.183 g/mol |
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| CAS Registry Number | 20489-53-6 |
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| IUPAC Name | (4R,4aS,6R,8aS)-4,4a-dimethyl-6-(prop-1-en-2-yl)-decahydronaphthalen-2-one |
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| Traditional Name | (4R,4aS,6R,8aS)-4,4a-dimethyl-6-(prop-1-en-2-yl)-octahydronaphthalen-2-one |
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| SMILES | [H][C@]1(CC[C@@]2([H])CC(=O)C[C@@]([H])(C)[C@]2(C)C1)C(C)=C |
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| InChI Identifier | InChI=1S/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15+/m1/s1 |
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| InChI Key | NMALGKNZYKRHCE-CXTNEJHOSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Sesquiterpenoids |
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| Direct Parent | Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
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| Alternative Parents | |
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| Substituents | - Eremophilane sesquiterpenoid
- Cyclic ketone
- Ketone
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic homopolycyclic compound
|
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | Not Available |
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