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CHEBI:53160 - 12'-apo-β-carotenal

ChEBI IDCHEBI:53160
ChEBI Name12'-apo-β-carotenal
Stars
ASCII Name12'-apo-beta-carotenal
DefinitionAn apo carotenoid C25 terpenoid compound arising from oxidative degradation of the β,β-carotene skeleton at the 12'-position.
Last Modified29 September 2009
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H34O
Net Charge0
Average Mass350.546
Monoisotopic Mass350.26097
SMILES[H]C(=O)/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C25H34O/c1-20(11-7-8-12-22(3)19-26)13-9-14-21(2)16-17-24-23(4)15-10-18-25(24,5)6/h7-9,11-14,16-17,19H,10,15,18H2,1-6H3/b8-7+,13-9+,17-16+,20-11+,21-14+,22-12+
InChIKeyBQTOMHXDSCUCFR-PHPDKTIJSA-N
ChEBI Ontology
Outgoing Relation(s)
12'-apo-β-carotenal (CHEBI:53160) is a apo carotenoid C25 terpenoid (CHEBI:53184)
12'-apo-β-carotenal (CHEBI:53160) is a enal (CHEBI:51688)
IUPAC Name 
12'-apo-β-caroten-12'-al
Registry NumbersSources
Beilstein:1889023Beilstein
Citations