Mrv1572004251600322D 72 71 0 0 0 0 999 V2000 23.6814 2.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3217 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0336 2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9288 2.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6527 1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7862 1.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2599 2.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0999 1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8698 0.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5073 2.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7689 1.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6225 0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8279 3.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6190 3.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7165 -1.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7442 4.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3716 3.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3855 -1.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1589 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8001 -2.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9916 4.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0406 3.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3018 -0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2425 2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1974 3.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1311 -2.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3227 4.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7932 3.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9708 0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8383 1.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5215 1.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7061 -0.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9951 1.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5284 2.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3785 -2.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5701 4.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4621 3.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0857 2.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1905 1.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4587 -0.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6641 2.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6120 1.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2949 -1.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9011 3.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2147 3.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5562 1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7269 4.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3053 3.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9431 1.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5423 -1.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0579 3.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1485 4.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8837 3.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4726 2.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5003 1.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0267 0.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8733 -1.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0649 5.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8001 4.5959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7200 2.6165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4795 3.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6363 3.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1415 2.7613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5735 1.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 4.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2147 -3.7564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0787 0.8784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7758 3.0510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7095 -3.0805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 19 1 0 0 0 0 26 20 1 0 0 0 0 27 21 1 0 0 0 0 28 22 1 0 0 0 0 29 23 1 0 0 0 0 30 24 1 0 0 0 0 31 10 1 0 0 0 0 32 11 1 0 0 0 0 33 12 1 0 0 0 0 34 25 2 0 0 0 0 35 26 2 0 0 0 0 36 27 2 0 0 0 0 37 28 1 0 0 0 0 38 29 1 0 0 0 0 39 30 1 0 0 0 0 40 31 1 0 0 0 0 41 32 1 0 0 0 0 42 33 1 0 0 0 0 43 34 1 0 0 0 0 44 35 1 0 0 0 0 45 36 1 0 0 0 0 46 37 1 0 0 0 0 47 38 1 0 0 0 0 48 39 1 0 0 0 0 51 40 1 0 0 0 0 51 43 1 0 0 0 0 52 41 1 0 0 0 0 52 44 1 0 0 0 0 53 42 1 0 0 0 0 53 45 1 0 0 0 0 54 49 1 0 0 0 0 54 50 1 0 0 0 0 55 46 1 0 0 0 0 56 47 1 0 0 0 0 57 48 1 0 0 0 0 58 51 1 0 0 0 0 59 52 1 0 0 0 0 60 53 1 0 0 0 0 61 55 2 0 0 0 0 62 56 2 0 0 0 0 63 57 2 0 0 0 0 64 49 1 0 0 0 0 64 55 1 0 0 0 0 65 50 1 0 0 0 0 65 56 1 0 0 0 0 66 54 1 0 0 0 0 66 57 1 0 0 0 0 67 25 1 0 0 0 0 68 26 1 0 0 0 0 69 27 1 0 0 0 0 70 34 1 0 0 0 0 71 35 1 0 0 0 0 72 36 1 0 0 0 0 M END > CHEM005051 > chemdb > [H]\C(CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C([H])=C(\[H])CC(O)CCCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])CC(O)CCCCCC)=C(/[H])CC(O)CCCCCC > InChI=1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25-,35-26-,36-27- > ZEMPKEQAKRGZGQ-AAKVHIHISA-N > C57H104O9 > 933.45 > 932.768034929 > 6 > 170 > 120.5914748459863 > 0 > 3 > 0 > 0 > 1,3-bis({[(9Z)-12-hydroxyoctadec-9-enoyl]oxy})propan-2-yl (9Z)-12-hydroxyoctadec-9-enoate > 9.54 > 16.345639123333335 > -7.41 > 0 > 0 > 0 > 18.401256348683585 > 18.401256348683585 > -0.8339684132006674 > 139.58999999999997 > 277.25459999999987 > 53 > 0 > 3.64e-05 g/l > 1,3-bis({[(9Z)-12-hydroxyoctadec-9-enoyl]oxy})propan-2-yl (9Z)-12-hydroxyoctadec-9-enoate > 0 > CASTOR OIL (RICINUS COMMUNIS L.) > 8001-79-4 > Castor oil $$$$