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CHEBI:176238 - (3S,3'S,5R,5'R,6R)-6,7-Didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-beta,kappa-caroten-6'-one

ChEBI IDCHEBI:176238
ChEBI Name(3S,3'S,5R,5'R,6R)-6,7-Didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-beta,kappa-caroten-6'-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC40H56O5
Net Charge0
Average Mass616.883
Monoisotopic Mass616.41277
SMILESCC(=C/C=C1C(C)(C)CC(O)CC1(C)O)/C=C/C=C(C)/C=C/C=C/C(C)=C/[CH+]/C=C(C)/C([O-])=C/C(=O)C1(C)CC(O)CC1(C)C
InChIInChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)27-40(35,10)45)15-11-12-16-29(2)19-14-20-31(4)34(43)23-36(44)39(9)26-33(42)25-38(39,7)8/h11-23,32-33,41-42,45H,24-27H2,1-10H3/b15-11+,16-12+,18-13+,28-17+,29-19+,30-21-,31-20+,35-22?
InChIKeyLQWRMACTPVETIT-KQICQZIZSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,3'S,5R,5'R,6R)-6,7-Didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-beta,kappa-caroten-6'-one (CHEBI:176238) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(2Z,4E,7E,9E,11E,13E,15E,17Z)-19-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethyl-1-oxononadeca-2,4,7,9,11,13,15,17-octaen-3-olate