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CHEBI:191464 - 3'-Dehydrolutein/ Philosamiaxanthin/ 3-Hydroxy-beta,epsilon-caroten-3'-one

ChEBI IDCHEBI:191464
ChEBI Name3'-Dehydrolutein/ Philosamiaxanthin/ 3-Hydroxy-beta,epsilon-caroten-3'-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H54O2
Net Charge0
Average Mass566.870
Monoisotopic Mass566.41238
SMILESCC1=CC(=O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C
InChIInChI=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/h11-25,36-37,42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t36-,37+/m1/s1
InChIKeyOABQIJAIRYEICK-HRAWYTEHSA-N
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
ChEBI Ontology
Outgoing Relation(s)
3'-Dehydrolutein/ Philosamiaxanthin/ 3-Hydroxy-beta,epsilon-caroten-3'-one (CHEBI:191464) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-one
Manual XrefsDatabases
9425042ChemSpider
LMPR01070198LIPID MAPS