CHEBI:81153 - 11-o-Galloylbergenin

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ChEBI Name 11-o-Galloylbergenin
ChEBI ID CHEBI:81153
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/c1-31-17-10(24)4-7-12(15(17)27)18-19(34-21(7)30)16(28)14(26)11(33-18)5-32-20(29)6-2-8(22)13(25)9(23)3-6/h2-4,11,14,16,18-19,22-28H,5H2,1H3
InChIKey CDRRULDABVKKHU-UHFFFAOYSA-N
SMILES COc1c(O)cc2C(=O)OC3C(O)C(O)C(COC(=O)c4cc(O)c(O)c(O)c4)OC3c2c1O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 11-o-Galloylbergenin (CHEBI:81153) is a trihydroxybenzoic acid (CHEBI:27115)
Manual Xref Database
C17520 KEGG COMPOUND
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