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CHEBI:185697 - Calomelanol A

ChEBI IDCHEBI:185697
ChEBI NameCalomelanol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H22O6
Net Charge0
Average Mass418.445
Monoisotopic Mass418.14164
SMILESCOc1ccc(CCC(=O)c2c(O)cc(O)c3c2OC(=O)CC3c2ccccc2)cc1
InChIInChI=1S/C25H22O6/c1-30-17-10-7-15(8-11-17)9-12-19(26)24-21(28)14-20(27)23-18(13-22(29)31-25(23)24)16-5-3-2-4-6-16/h2-8,10-11,14,18,27-28H,9,12-13H2,1H3
InChIKeyNJBYGZXCUVMTGT-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 A (CHEBI:185697) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
5,7-dihydroxy-8-[3-(4-methoxyphenyl)propanoyl]-4-phenyl-3,4-dihydrochromen-2-one
Manual XrefsDatabases
24846097ChemSpider
LMPK12120527LIPID MAPS