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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3'-hydroxy-e,e-caroten-3-one
ChEBI ID CHEBI:145962
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C40H54O2
Net Charge 0
Average Mass 566.870
Monoisotopic Mass 566.41238
InChI InChI=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+
InChIKey OTHWKRBAHPOBSP-DKLMTRRASA-N
SMILES OC1CC(C(C(=C1)C)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(\C=C\C=C(\C=C\C2C(CC(=O)C=C2C)(C)C)/C)/C)(C)C
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0002020 HMDB accession
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