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CHEBI:193238 - 5,6,7-trihydroxy-2-(3-hydroxy-5-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

ChEBI IDCHEBI:193238
ChEBI Name5,6,7-trihydroxy-2-(3-hydroxy-5-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O7
Net Charge0
Average Mass318.281
Monoisotopic Mass318.07395
SMILESCOc1cc(O)cc(C2CC(=O)c3c(cc(O)c(O)c3O)O2)c1
InChIInChI=1S/C16H14O7/c1-22-9-3-7(2-8(17)4-9)12-5-10(18)14-13(23-12)6-11(19)15(20)16(14)21/h2-4,6,12,17,19-21H,5H2,1H3
InChIKeyJNTVJZAORREEKF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
5,6,7-trihydroxy-2-(3-hydroxy-5-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one (CHEBI:193238) is a ether (CHEBI:25698)
5,6,7-trihydroxy-2-(3-hydroxy-5-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one (CHEBI:193238) is a flavonoids (CHEBI:72544)
IUPAC Name 
5,6,7-trihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
Manual XrefsDatabases
74852149ChemSpider