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CHEBI:187374 - Bacteriorubixanthinal

ChEBI IDCHEBI:187374
ChEBI NameBacteriorubixanthinal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H56O3
Net Charge0
Average Mass596.896
Monoisotopic Mass596.42295
SMILESCOC(C)(C)C/C=C/C(C)=C/C=C/C(C=O)=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/C41H56O3/c1-32(19-13-20-35(4)26-27-39-36(5)29-38(43)30-40(39,6)7)17-11-12-18-33(2)21-14-24-37(31-42)25-15-22-34(3)23-16-28-41(8,9)44-10/h11-27,31,38,43H,28-30H2,1-10H3/b12-11+,19-13+,21-14+,23-16+,25-15+,27-26+,32-17+,33-18+,34-22+,35-20+,37-24+/t38-/m1/s1
InChIKeyDFOYVSCLGRVGJK-VNWCQJOTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Bacteriorubixanthinal (CHEBI:187374) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2-[(1E,3E,5E)-8-methoxy-4,8-dimethylnona-1,3,5-trienyl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaenal
Manual XrefsDatabases
17220931ChemSpider
LMPR01070145LIPID MAPS