CHEBI:181745 - 3-Hydroxy-3',4'-didehydro-beta,psi-caroten-4-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-3',4'-didehydro-beta,psi-caroten-4-one
ChEBI ID CHEBI:181745
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H52O2
Net Charge 0
Average Mass 564.854
Monoisotopic Mass 564.39673
InChI InChI=1S/C40H52O2/c1-30(2)17-13-20-33(5)23-15-25-34(6)24-14-21-31(3)18-11-12-19-32(4)22-16-26-35(7)27-28-37-36(8)39(42)38(41)29-40(37,9)10/h11-28,38,41H,29H2,1-10H3/b12-11+,20-13+,21-14+,22-16+,25-15+,28-27+,31-18+,32-19+,33-23+,34-24+,35-26+
InChIKey JQSLJBXSPJMQQS-ZGZGHAEGSA-N
SMILES OC1CC(C(=C(C1=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/C=C(C)C)\C)\C)\C)(C)C
ChEBI Ontology
Outgoing 3-Hydroxy-3',4'-didehydro-beta,psi-caroten-4-one (CHEBI:181745) is a xanthophyll (CHEBI:27325)
IUPAC Name
3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl]-6-hydroxy-2,4,4-trimethylcyclohex-2-en-1-one