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9,10-EOT

PropertiesImage
MNX_IDMNXM6141 Image of MNXM6141
referencechebi:80445
formulaC18H28O3
global charge0
mol weight292.419
InChIKeyAAJODOMQIUQTFG-XAICKWAHSA-N
InChIInChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13,17H,2,5-6,8-9,11-12,14-15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13-
SMILESCC/C=C\C/C=C\C=C1/OC1CCCCCCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C18H28O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13,17H,2,5-6,8-9,11-12,14-15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13-/t17? Image of MNXM6141
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5]/[CH:7]=[CH:10]\[CH:13]=[C:16]1\[CH:17]([CH2:14][CH2:11][CH2:8][CH2:6][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) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80445
chebi:80445
kegg.compound:C16324
keggC:C16324
AAJODOMQIUQTFG-XAICKWAHSA-N 		9,10-EOT
(9S)-(10E,12Z,15Z)-9,10-Epoxyoctadecatri-10,12,15-enoic acid
9,10-EOTrE
9,10-Epoxyoctadecatrienoic acid

seed.compound:cpd15040
seedM:cpd15040
AAJODOMQIUQTFG-XAICKWAHSA-M 		9,10-EOT
(9S)-(10E,12Z,15Z)-9,10-Epoxyoctadecatri-10,12,15-enoic acid
9,10-EOTrE
9,10-Epoxyoctadecatrienoic acid
9,10-epoxy-10,12Z,15Z-octadecatrienoate
9,10-epoxy-10,12Z,15Z-octadecatrienoic acid

vmhM:eodctnt
vmhmetabolite:eodctnt
AAJODOMQIUQTFG-XAICKWAHSA-N 		9,10-Epoxyoctadecatrienoic acid

metacyc.compound:CPD-8682
metacycM:CPD-8682
AAJODOMQIUQTFG-XAICKWAHSA-M 		9,10-epoxy-10,12Z,15Z-octadecatrienoate
9,10-EOT
9,10-epoxy-10,12Z,15Z-octadecatrienoic acid

keggC:M_C16324
seedM:M_cpd15040
vmhM:M_eodctnt 		secondary/obsolete/fantasy identifier