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9,10-12,13-Diepoxyoctadecanoate

PropertiesImage
MNX_IDMNXM15096 Image of MNXM15096
referencechebi:34500
formulaC18H32O4
global charge0
mol weight312.45
InChIKeyLAIUZQCFIABNDP-UHFFFAOYSA-N
InChIInChI=1S/C18H32O4/c1-2-3-7-10-14-16(21-14)13-17-15(22-17)11-8-5-4-6-9-12-18(19)20/h14-17H,2-13H2,1H3,(H,19,20)
SMILESCCCCCC1OC1CC1OC1CCCCCCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C18H32O4/c1-2-3-7-10-14-16(21-14)13-17-15(22-17)11-8-5-4-6-9-12-18(19)20/h14-17H,2-13H2,1H3,(H,19,20)/t14?,15?,16?,17? Image of MNXM15096
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:7][CH2:10][CH:14]1[CH:16]([CH2:13][CH:17]2[CH:15]([CH2:11][CH2:8][CH2:5][CH2:4][CH2:6][CH2:9][CH2:12][C:18](=[O:19])[OH:20])[O:22]2)[O:21]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:34500
chebi:34500
kegg.compound:C14836
keggC:C14836
LAIUZQCFIABNDP-UHFFFAOYSA-N 		9,10-12,13-Diepoxyoctadecanoate
9,10-12,13-Diepoxyoctadecanoic acid

seed.compound:cpd10533
seedM:cpd10533
LAIUZQCFIABNDP-UHFFFAOYSA-M 		9,10-12,13-Diepoxyoctadecanoate
9,10-12,13-Diepoxyoctadecanoic acid
9,10-12,13-diepoxyoctadecanoate
9,10-12,13-diepoxyoctadecanoic acid

vmhM:CE6502
vmhmetabolite:CE6502
LAIUZQCFIABNDP-UHFFFAOYSA-M 		9,10-12,13-diepoxy-octadecanoate

metacyc.compound:CPD-13088
metacycM:CPD-13088
LAIUZQCFIABNDP-UHFFFAOYSA-M 		9,10-12,13-diepoxyoctadecanoate
9,10-12,13-diepoxyoctadecanoic acid

keggC:M_C14836
seedM:M_cpd10533
vmhM:M_CE6502 		secondary/obsolete/fantasy identifier