EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186004 - Calomelanol H

ChEBI IDCHEBI:186004
ChEBI NameCalomelanol H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H18O6
Net Charge0
Average Mass402.402
Monoisotopic Mass402.11034
SMILESO=C1CC(c2ccccc2)c2c(cc3c(c2O)C(=O)CC(c2ccc(O)cc2)O3)O1
InChIInChI=1S/C24H18O6/c25-15-8-6-14(7-9-15)18-11-17(26)23-20(29-18)12-19-22(24(23)28)16(10-21(27)30-19)13-4-2-1-3-5-13/h1-9,12,16,18,25,28H,10-11H2
InChIKeyBQCMJSOAYSMFJF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Calomelanol H (CHEBI:186004) is a extended flavonoid (CHEBI:71037)
IUPAC Name 
5-hydroxy-8-(4-hydroxyphenyl)-4-phenyl-3,4,7,8-tetrahydropyrano[3,2-g]chromene-2,6-dione
Manual XrefsDatabases
LMPK12140305LIPID MAPS
24846396ChemSpider