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CHEBI:185821 - Calomelanol C

Default Structure
ChEBI IDCHEBI:185821
ChEBI NameCalomelanol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H20O6
Net Charge0
Average Mass404.418
Monoisotopic Mass404.12599
SMILESO=C1CC(c2ccc(O)cc2)c2c(O)cc(O)c(C(=O)CCc3ccccc3)c2O1
InChIInChI=1S/C24H20O6/c25-16-9-7-15(8-10-16)17-12-21(29)30-24-22(17)19(27)13-20(28)23(24)18(26)11-6-14-4-2-1-3-5-14/h1-5,7-10,13,17,25,27-28H,6,11-12H2
InChIKeyLEHQNGMIHPACJG-UHFFFAOYSA-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)
Calomelanol C (CHEBI:185821) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
5,7-dihydroxy-4-(4-hydroxyphenyl)-8-(3-phenylpropanoyl)-3,4-dihydrochromen-2-one
Manual XrefsDatabases
9179176ChemSpider
LMPK12120496LIPID MAPS