EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:145962 - 3'-hydroxy-e,e-caroten-3-one

ChEBI IDCHEBI:145962
ChEBI Name3'-hydroxy-e,e-caroten-3-one
Stars
Submittermwilliams
DownloadsMolfile
FormulaC40H54O2
Net Charge0
Average Mass566.870
Monoisotopic Mass566.41238
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=C/C1C(C)=CC(O)CC1(C)C
InChIInChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35,37-38,41H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChIKeyOTHWKRBAHPOBSP-DKLMTRRASA-N
ChEBI Ontology
Outgoing Relation(s)
3'-hydroxy-e,e-caroten-3-one (CHEBI:145962) is a carotenone (CHEBI:35310)
3'-hydroxy-e,e-caroten-3-one (CHEBI:145962) is a enone (CHEBI:51689)
3'-hydroxy-e,e-caroten-3-one (CHEBI:145962) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
3'-hydroxy-4,4'-didehydro-6,6'-dihydro-beta,beta-caroten-3-one
Manual XrefsDatabases
HMDB0002020HMDB