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CHEBI:185215 - 8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin

ChEBI IDCHEBI:185215
ChEBI Name8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H18O7
Net Charge0
Average Mass418.401
Monoisotopic Mass418.10525
SMILESO=C1CC(c2ccccc2)c2c(O)cc(O)c(C(=O)/C=C/c3ccc(O)c(O)c3)c2O1
InChIInChI=1S/C24H18O7/c25-16-8-6-13(10-18(16)27)7-9-17(26)23-20(29)12-19(28)22-15(11-21(30)31-24(22)23)14-4-2-1-3-5-14/h1-10,12,15,25,27-29H,11H2/b9-7+
InChIKeyCUIRGMIYSYUUIL-VQHVLOKHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin (CHEBI:185215) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
8-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-5,7-dihydroxy-4-phenyl-3,4-dihydrochromen-2-one
Manual XrefsDatabases
24845985ChemSpider
LMPK12120268LIPID MAPS