EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:190068 - 7,8-Dehydro-beta-micropteroxanthin

ChEBI IDCHEBI:190068
ChEBI Name7,8-Dehydro-beta-micropteroxanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O2
Net Charge0
Average Mass394.599
Monoisotopic Mass394.28718
SMILESCC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CCCO)C(C)(C)CC(O)C1
InChIInChI=1S/C27H38O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-9,11-14,25,28-29H,10,15,18-20H2,1-6H3/b8-7+,13-9+,21-11+,22-12+,23-14+
InChIKeyWBZDTPSENKZGHB-CVQMZNOGSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
7,8-Dehydro-beta-micropteroxanthin (CHEBI:190068) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
4-[(3E,5E,7E,9E,11E)-15-hydroxy-3,7,12-trimethylpentadeca-3,5,7,9,11-pentaen-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol
Manual XrefsDatabases
HMDB0038506HMDB
35014591ChemSpider