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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:81327 - Gambiriin A3
Main
ChEBI Ontology
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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
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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-
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
View more database links