CHEBI:81148 - 4-o-Galloylbergenin

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ChEBI Name 4-o-Galloylbergenin
ChEBI ID CHEBI:81148
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H20O13
Net Charge 0
Average Mass 480.37570
Monoisotopic Mass 480.09039
InChI InChI=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
InChIKey QKSHSFQTWCKTFV-UHFFFAOYSA-N
SMILES COc1c(O)cc2C(=O)OC3C(OC(=O)c4cc(O)c(O)c(O)c4)C(O)C(CO)OC3c2c1O
ChEBI Ontology
Outgoing 4-o-Galloylbergenin (CHEBI:81148) is a 16-oxo steroid (CHEBI:47786)
Manual Xref Database
C17514 KEGG COMPOUND
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