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CHEBI:81148 - 4-o-Galloylbergenin

Default Structure
ChEBI IDCHEBI:81148
ChEBI Name4-o-Galloylbergenin
Stars
DownloadsMolfile
FormulaC21H20O13
Net Charge0
Average Mass480.378
Monoisotopic Mass480.09039
SMILESCOc1c(O)cc2c(c1O)C1OC(CO)C(O)C(OC(=O)c3cc(O)c(O)c(O)c3)C1OC2=O
InChIInChI=1S/C21H20O13/c1-31-16-10(25)4-7-12(15(16)28)17-19(34-21(7)30)18(14(27)11(5-22)32-17)33-20(29)6-2-8(23)13(26)9(24)3-6/h2-4,11,14,17-19,22-28H,5H2,1H3
InChIKeyQKSHSFQTWCKTFV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-o-Galloylbergenin (CHEBI:81148) is a 16-oxo steroid (CHEBI:47786)
Manual XrefsDatabases
C17514KEGG COMPOUND