CHEBI:190363 - (9E)-Valenciaxanthin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (9E)-Valenciaxanthin
ChEBI ID CHEBI:190363
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H40O3
Net Charge 0
Average Mass 412.614
Monoisotopic Mass 412.29775
InChI InChI=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+
InChIKey FTNZYJHYERPLRL-XKZZBTAKSA-N
SMILES O1C2(C1(CC(O)CC2(C)C)C)/C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(\CCCO)/C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in intestinal content (MEO:0000968). of strain C57BL/6J  [EFO:0000606] See: MetaboLights Study
ChEBI Ontology
Outgoing (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 Xrefs Databases
35014274 ChemSpider
HMDB0036848 HMDB
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