CHEBI:81325 - Gambiriin A1

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ChEBI Name Gambiriin A1
ChEBI ID CHEBI:81325
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)9-24(39)27(12-1-3-17(32)22(37)5-12)28-25(40)11-21(36)16-10-26(41)29(42-30(16)28)13-2-4-18(33)23(38)6-13/h1-8,11,24,26-27,29,31-41H,9-10H2/t24-,26-,27-,29+/m0/s1
InChIKey AAOPKIFUFWCDQZ-KEQINOFFSA-N
SMILES O[C@@H](Cc1c(O)cc(O)cc1O)[C@H](c1ccc(O)c(O)c1)c1c(O)cc(O)c2C[C@H](O)[C@H](Oc12)c1ccc(O)c(O)c1
ChEBI Ontology
Outgoing Gambiriin A1 (CHEBI:81325) is a catechin (CHEBI:23053)
Manual Xref Database
C17772 KEGG COMPOUND
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