EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:176383 - Coumaroyl-feruloylglycerol

ChEBI IDCHEBI:176383
ChEBI NameCoumaroyl-feruloylglycerol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O8
Net Charge0
Average Mass414.410
Monoisotopic Mass414.13147
SMILESCOc1cc(/C=C/C(=O)C(O)(C(=O)/C=C/c2ccc(O)cc2)C(O)CO)ccc1O
InChIInChI=1S/C22H22O8/c1-30-18-12-15(4-9-17(18)25)6-11-20(27)22(29,21(28)13-23)19(26)10-5-14-2-7-16(24)8-3-14/h2-12,21,23-25,28-29H,13H2,1H3/b10-5+,11-6+
InChIKeyJHDAVTOBIFNIPF-YOYBCKCWSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) leaf (BTO:0000713) MetaboLights (MTBLS2566)
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)
Coumaroyl-feruloylglycerol (CHEBI:176383) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
(1E,6E)-4-(1,2-dihydroxyethyl)-4-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione