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CHEBI:176157 - Methyl (7Z,9Z,9'Z)-6'-apo-y-caroten-6'-oate

Default Structure
ChEBI IDCHEBI:176157
ChEBI NameMethyl (7Z,9Z,9'Z)-6'-apo-y-caroten-6'-oate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H44O2
Net Charge0
Average Mass472.713
Monoisotopic Mass472.33413
SMILESCOC(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C33H44O2/c1-27(2)15-11-18-30(5)21-13-23-31(6)22-12-19-28(3)16-9-10-17-29(4)20-14-24-32(7)25-26-33(34)35-8/h9-10,12-17,19-26H,11,18H2,1-8H3/b10-9+,19-12+,20-14+,23-13+,26-25+,28-16+,29-17+,30-21+,31-22+,32-24+
InChIKeySLFLEAITCHGGJK-VCZKBJCCSA-N
ChEBI Ontology
Outgoing Relation(s)
Methyl (7Z,9Z,9'Z)-6'-apo-y-caroten-6'-oate (CHEBI:176157) is a triterpenoid (CHEBI:36615)
IUPAC Name 
methyl (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-4,8,13,17,21,25-hexamethylhexacosa-2,4,6,8,10,12,14,16,18,20,24-undecaenoate
Manual XrefsDatabases
30776899ChemSpider
HMDB0031381HMDB