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(+)-vernolic acid

PropertiesImage
MNX_IDMNXM30177 Image of MNXM30177
referencechebi:27706
formulaC18H32O3
global charge0
mol weight296.451
InChIKeyCCPPLLJZDQAOHD-GJGKEFFFSA-N
InChIInChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m1/s1
SMILESCCCCC[C@H]1O[C@H]1C/C=C\CCCCCCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m1/s1 Image of MNXM30177
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:10][CH2:13][C@@H:16]1[C@H:17]([CH2:14]/[CH:11]=[CH:8]\[CH2:6][CH2:4][CH2:5][CH2:7][CH2:9][CH2:12][CH2:15][C:18](=[O:19])[OH:20])[O:21]1
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

CHEBI:27706
chebi:27706
CCPPLLJZDQAOHD-GJGKEFFFSA-N 		(+)-vernolic acid
(+)-12(S),13(R)-vernolic acid
(+)-Vernolsaeure
(+)-leukotoxin B
(9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid
(9Z)-(12S,13R)-12,13-epoxyoctadecenoic acid
(9Z)-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid
12S,13R-EpOME
Vernolic acid
Vernolic acid (+)-form
cis-12,13-Epoxy-cis-9-octadecenoic acid
cis-12-Epoxyoctadeca-cis-9-enoic acid
cis-12S,13R,-ep, 9c-18:1

metacyc.compound:CPD-14396
metacycM:CPD-14396
seed.compound:cpd30764
seedM:cpd30764
CCPPLLJZDQAOHD-GJGKEFFFSA-M 		(+)-vernolate
(+)-vernolic acid
(12S,13R)-vernolate
(9Z)-(12S,13R)-12,13-epoxyoctadecenoate
(9Z)-(12S,13R)-12,13-epoxyoctadecenoic acid(9Z)-(12S,13R)-12,13-epoxyoctadecenoic acid

lipidmaps:LMFA02000282
lipidmapsM:LMFA02000282
CCPPLLJZDQAOHD-GJGKEFFFSA-N 		12S,13R-EpOME
(9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid
12S,13R-epoxy-9Z-octadecenoic acid
FA 18:2
O
Vernolic acid

chebi:27282
chebi:9964
seedM:M_cpd30764 		secondary/obsolete/fantasy identifier