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CHEBI:224061 - (2R,3S,2′R,3′R)-2,3,2′,3′-tetrahydroxy-beta,beta-caroten-4-one

ChEBI IDCHEBI:224061
ChEBI Name(2R,3S,2′R,3′R)-2,3,2′,3′-tetrahydroxy-beta,beta-caroten-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H54O5
Net Charge0
Average Mass614.867
Monoisotopic Mass614.39712
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)[C@H](O)C2(C)C)C(C)(C)[C@@H](O)[C@H](O)C1
InChIInChI=1S/C40H54O5/c1-26(17-13-19-28(3)21-23-32-30(5)25-34(41)37(44)39(32,7)8)15-11-12-16-27(2)18-14-20-29(4)22-24-33-31(6)35(42)36(43)38(45)40(33,9)10/h11-24,34,36-38,41,43-45H,25H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,26-15+,27-16+,28-19+,29-20+/t34-,36-,37+,38+/m1/s1
InChIKeyXJWXMPXLYUAWJI-LKWSRBIKSA-N
Species of MetaboliteComponentSourceComments
Bradyrhizobium lupini (ncbitaxon:136996) - PubMed (838596)
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,2′R,3′R)-2,3,2′,3′-tetrahydroxy-beta,beta-caroten-4-one (CHEBI:224061) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(5R,6S)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R,5R)-4,5-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-5,6-dihydroxy-2,4,4-trimethylcyclohex-2-en-1-one
Manual XrefsDatabases
59700150ChemSpider