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CHEBI:187153 - 1',2'-Dihydro-1',2'-dihydroxy-4-ketotoruelene/ (4-Ketophleixanthophyll)

ChEBI IDCHEBI:187153
ChEBI Name1',2'-Dihydro-1',2'-dihydroxy-4-ketotoruelene/ (4-Ketophleixanthophyll)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H54O3
Net Charge0
Average Mass582.869
Monoisotopic Mass582.40730
SMILESCC1=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@H](O)C(C)(C)O)C(C)(C)CCC1=O
InChIInChI=1S/C40H54O3/c1-30(18-13-20-32(3)21-15-23-34(5)25-27-38(42)40(9,10)43)16-11-12-17-31(2)19-14-22-33(4)24-26-36-35(6)37(41)28-29-39(36,7)8/h11-27,38,42-43H,28-29H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,30-16+,31-17+,32-20+,33-22+,34-23+/t38-/m0/s1
InChIKeyFPIZYJYTADQUJO-IQEAZOQRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
1',2'-Dihydro-1',2'-dihydroxy-4-ketotoruelene/ (4-Ketophleixanthophyll) (CHEBI:187153) is a xanthophyll (CHEBI:27325)
IUPAC Name 
3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23S)-23,24-dihydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
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17220965ChemSpider
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