EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214940 - Vancouverone A

ChEBI IDCHEBI:214940
ChEBI NameVancouverone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27NO4
Net Charge0
Average Mass369.461
Monoisotopic Mass369.19401
SMILESC/C=C(\C)C[C@H](C)C[C@H](C)C(=O)c1c(O)c(-c2ccc(O)cc2)cnc1=O
InChIInChI=1S/C22H27NO4/c1-5-13(2)10-14(3)11-15(4)20(25)19-21(26)18(12-23-22(19)27)16-6-8-17(24)9-7-16/h5-9,12,14-15,24H,10-11H2,1-4H3,(H2,23,26,27)/b13-5+/t14-,15-/m0/s1
InChIKeyBKSJYQWMEUTFBN-PJORVAEVSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.phytol.2020.07.008)
ChEBI Ontology
Outgoing Relation(s)
Vancouverone A (CHEBI:214940) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
4-hydroxy-5-(4-hydroxyphenyl)-3-[(E,2S,4R)-2,4,6-trimethyloct-6-enoyl]-1H-pyridin-2-one
Manual XrefsDatabases
101935322ChemSpider