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CHEBI:190363 - (9E)-Valenciaxanthin

ChEBI IDCHEBI:190363
ChEBI Name(9E)-Valenciaxanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O3
Net Charge0
Average Mass412.614
Monoisotopic Mass412.29775
SMILESCC(/C=C\C12OC1(C)CC(O)CC2(C)C)=C\C=C\C(C)=C\C=C\C=C(/C)CCCO
InChIInChI=1S/C27H40O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-9,11-14,16-17,24,28-29H,10,15,18-20H2,1-6H3/b8-7+,13-9+,17-16-,21-11+,22-12+,23-14+
InChIKeyFTNZYJHYERPLRL-XKZZBTAKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
(9E)-Valenciaxanthin (CHEBI:190363) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
6-[(1Z,3E,5E,7E,9E,11E)-15-hydroxy-3,7,12-trimethylpentadeca-1,3,5,7,9,11-hexaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
Manual XrefsDatabases
35014274ChemSpider
HMDB0036848HMDB