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CHEBI:204583 - [4-[(1Z,3Z)-4-(3,4-dihydroxycyclohexen-1-yl)-2,3-diisocyanobuta-1,3-dienyl]cyclohexyl] 3-methylbut-2-enoate

ChEBI IDCHEBI:204583
ChEBI Name[4-[(1Z,3Z)-4-(3,4-dihydroxycyclohexen-1-yl)-2,3-diisocyanobuta-1,3-dienyl]cyclohexyl] 3-methylbut-2-enoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28N2O4
Net Charge0
Average Mass396.487
Monoisotopic Mass396.20491
SMILES[C-]#[N+]C(=C\C1=CC(O)C(O)CC1)/C(=C/C1CCC(OC(=O)C=C(C)C)CC1)[N+]#[C-]
InChIInChI=1S/C23H28N2O4/c1-15(2)11-23(28)29-18-8-5-16(6-9-18)12-19(24-3)20(25-4)13-17-7-10-21(26)22(27)14-17/h11-14,16,18,21-22,26-27H,5-10H2,1-2H3/b19-12-,20-13-
InChIKeyKLFCZJPRAVIRKE-YXZJEIOKSA-N
ChEBI Ontology
Outgoing Relation(s)
[4-[(1Z,3Z)-4-(3,4-dihydroxycyclohexen-1-yl)-2,3-diisocyanobuta-1,3-dienyl]cyclohexyl] 3-methylbut-2-enoate (CHEBI:204583) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[4-[(1Z,3Z)-4-(3,4-dihydroxycyclohexen-1-yl)-2,3-diisocyanobuta-1,3-dienyl]cyclohexyl] 3-methylbut-2-enoate
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78444519ChemSpider