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CHEBI:192857 - Calomelanol B

ChEBI IDCHEBI:192857
ChEBI NameCalomelanol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H20O6
Net Charge0
Average Mass404.418
Monoisotopic Mass404.12599
SMILESO=C1CC(c2ccccc2)c2c(O)cc(O)c(C(=O)CCc3ccc(O)cc3)c2O1
InChIInChI=1S/C24H20O6/c25-16-9-6-14(7-10-16)8-11-18(26)23-20(28)13-19(27)22-17(12-21(29)30-24(22)23)15-4-2-1-3-5-15/h1-7,9-10,13,17,25,27-28H,8,11-12H2
InChIKeyHGMBLMAQBAQIBW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
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 B (CHEBI:192857) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
5,7-dihydroxy-8-[3-(4-hydroxyphenyl)propanoyl]-4-phenyl-3,4-dihydrochromen-2-one
Manual XrefsDatabases
24846095ChemSpider
LMPK12120524LIPID MAPS