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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:81326 - Gambiriin A2
Main
ChEBI Ontology
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ChEBI Name
Gambiriin A2
ChEBI ID
CHEBI:81326
Stars
This entity has been manually annotated by a third party.
Supplier Information
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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-CXXWFMJBSA-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 A2 (
CHEBI:81326
)
is a
catechin (
CHEBI:23053
)
Manual Xref
Database
C17773
KEGG COMPOUND
View more database links