CHEBI:81327 - Gambiriin A3

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ChEBI Name Gambiriin A3
ChEBI ID CHEBI:81327
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H28O12
Net Charge 0
Average Mass 580.53610
Monoisotopic Mass 580.15808
InChI InChI=1S/C30H28O12/c31-14-7-19(34)15(20(35)8-14)9-23(38)27(12-1-3-17(32)21(36)5-12)28-24(39)11-26-16(29(28)41)10-25(40)30(42-26)13-2-4-18(33)22(37)6-13/h1-8,11,23,25,27,30-41H,9-10H2/t23-,25-,27-,30+/m0/s1
InChIKey MIFNNWIZHGVHPR-BKVCSMAQSA-N
SMILES O[C@@H](Cc1c(O)cc(O)cc1O)[C@H](c1ccc(O)c(O)c1)c1c(O)cc2O[C@@H]([C@@H](O)Cc2c1O)c1ccc(O)c(O)c1
ChEBI Ontology
Outgoing Gambiriin A3 (CHEBI:81327) is a catechin (CHEBI:23053)
Manual Xref Database
C17774 KEGG COMPOUND
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