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ChEBI
> Main
CHEBI:80391 - Medicarpin 3-O-glucoside-6'-malonate
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ChEBI Ontology
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ChEBI Name
Medicarpin 3-O-glucoside-6'-malonate
ChEBI ID
CHEBI:80391
Stars
This entity has been manually annotated by a third party.
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Formula
C25H26O12
Net Charge
0
Average Mass
518.46670
Monoisotopic Mass
518.14243
InChI
InChI=1S/C25H26O12/c1-
32-
11-
2-
4-
13-
15-
9-
33-
16-
7-
12(3-
5-
14(16)
24(15)
36-
17(13)
6-
11)
35-
25-
23(31)
22(30)
21(29)
18(37-
25)
10-
34-
20(28)
8-
19(26)
27/h2-
7,15,18,21-
25,29-
31H,8-
10H2,1H3,(H,26,27)
/t15-
,18+,21+,22-
,23+,24-
,25+/m0/s1
InChIKey
BQAJKXKYTQTBDK-PCHDOLKHSA-N
SMILES
COc1ccc2[C@@H]3COc4cc(O[C@@H]5O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]5O)ccc4[C@@H]3Oc2c1
ChEBI Ontology
Outgoing
Medicarpin 3-O-glucoside-6'-malonate (
CHEBI:80391
)
is a
pterocarpans (
CHEBI:26377
)
Manual Xrefs
Databases
C00010184
KNApSAcK
C16224
KEGG COMPOUND
View more database links