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CHEBI:175504 - 3-Hydroxy-8'-apo-epsilon-caroten-8'-al

Default Structure
ChEBI IDCHEBI:175504
ChEBI Name3-Hydroxy-8'-apo-epsilon-caroten-8'-al
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O2
Net Charge0
Average Mass432.648
Monoisotopic Mass432.30283
SMILESCC1=CC(O)CC(C)(C)C1/C=C/C(C)=C\C=C\C(C)=C\C=C/C=C(C)/C=C\C=C(\C)C=O
InChIInChI=1S/C30H40O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-20,22,28-29,32H,21H2,1-7H3/b9-8-,14-10+,15-11-,19-18+,23-12+,24-13+,25-16-,26-17-
InChIKeySPBPMWXNKPPVSX-LHMJRBLPSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxy-8'-apo-epsilon-caroten-8'-al (CHEBI:175504) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2Z,4Z,6E,8Z,10E,12E,14Z,16E)-17-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14,16-octaenal
Manual XrefsDatabases
35014296ChemSpider
HMDB0036885HMDB