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CHEBI:196349 - Allopatuletin

ChEBI IDCHEBI:196349
ChEBI NameAllopatuletin
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FormulaC16H12O8
Net Charge0
Average Mass332.264
Monoisotopic Mass332.05322
SMILESCOc1c(O)c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12
InChIInChI=1S/C16H12O8/c1-23-16-11-10(5-9(19)12(16)20)24-15(14(22)13(11)21)6-2-3-7(17)8(18)4-6/h2-5,17-20,22H,1H3
InChIKeyAFVIGTXOPSJUAS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Allopatuletin (CHEBI:196349) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-3,6,7-trihydroxy-5-methoxychromen-4-one
Manual XrefsDatabases
24845577ChemSpider
LMPK12112985LIPID MAPS