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CHEBI:197276 - 4-Ketonostoxanthin

ChEBI IDCHEBI:197276
ChEBI Name4-Ketonostoxanthin
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-XYWIRVJGSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
4-Ketonostoxanthin (CHEBI:197276) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(5R,6R)-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
LMPR01070106LIPID MAPS
17220917ChemSpider