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auricolate

PropertiesImage
MNX_IDMNXM10753 Image of MNXM10753
referencemetacycM:CPD-12191
formulaC22H39O3
global charge-1
mol weight351.551
InChIKeyXTJZWXWDOCJQTN-DTHJDAIJSA-M
InChIInChI=1S/C22H40O3/c1-4-5-6-13-16-21(23)18-20(3)19(2)15-12-10-8-7-9-11-14-17-22(24)25/h5-6,21,23H,4,7-18H2,1-3H3,(H,24,25)/p-1/b6-5-,20-19-
SMILESCC/C=C\CCC(O)C/C(C)=C(/C)CCCCCCCCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C22H40O3/c1-4-5-6-13-16-21(23)18-20(3)19(2)15-12-10-8-7-9-11-14-17-22(24)25/h5-6,21,23H,4,7-18H2,1-3H3,(H,24,25)/b6-5-,20-19-/t21? Image of MNXM10753
SMILES (mnx)[CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:13][CH2:16][CH:21]([CH2:18]/[C:20]([CH3:3])=[C:19](/[CH3:2])[CH2:15][CH2:12][CH2:10][CH2:8][CH2:7][CH2:9][CH2:11][CH2:14][CH2:17][C:22](=[O:24])[OH:25])[OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-12191
metacycM:CPD-12191
seed.compound:cpd23285
seedM:cpd23285
XTJZWXWDOCJQTN-DTHJDAIJSA-M 		auricolate
(11Z,17Z)-14-hydroxy-11,12-dimethylicosa-11,17-dienoate
auricolic acid

seedM:M_cpd23285 		secondary/obsolete/fantasy identifier