EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175922 - Isogingerenone B

ChEBI IDCHEBI:175922
ChEBI NameIsogingerenone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O6
Net Charge0
Average Mass386.444
Monoisotopic Mass386.17294
SMILESCOc1cc(CC/C=C/C(=O)CCc2cc(OC)c(O)c(OC)c2)ccc1O
InChIInChI=1S/C22H26O6/c1-26-19-12-15(9-11-18(19)24)6-4-5-7-17(23)10-8-16-13-20(27-2)22(25)21(14-16)28-3/h5,7,9,11-14,24-25H,4,6,8,10H2,1-3H3/b7-5+
InChIKeyGCCMDTDROAUVAS-FNORWQNLSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Isogingerenone B (CHEBI:175922) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
(E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
Manual XrefsDatabases
4477110ChemSpider
HMDB0035404HMDB