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CHEBI:193206 - Gossypetin 3-methyl ether

ChEBI IDCHEBI:193206
ChEBI NameGossypetin 3-methyl ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O8
Net Charge0
Average Mass332.264
Monoisotopic Mass332.05322
SMILESCOc1c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c2c1=O
InChIInChI=1S/C16H12O8/c1-23-16-13(22)11-9(19)5-10(20)12(21)15(11)24-14(16)6-2-3-7(17)8(18)4-6/h2-5,17-21H,1H3
InChIKeyWLHKPDQFOBROCS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Gossypetin 3-methyl ether (CHEBI:193206) is a ether (CHEBI:25698)
Gossypetin 3-methyl ether (CHEBI:193206) is a flavonoids (CHEBI:72544)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-3-methoxychromen-4-one
Manual XrefsDatabases
4533588ChemSpider
LMPK12113232LIPID MAPS
Registry NumbersSources
CAS:86749-51-1ChemIDplus