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CHEBI:31433 - Coumermic acid
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ChEBI Ontology
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ChEBI Name
Coumermic acid
ChEBI ID
CHEBI:31433
Stars
This entity has been manually annotated by a third party.
Supplier Information
ChemicalBook:CB3167375
,
ChemicalBook:CB4183426
,
eMolecules:494487
,
ZINC000000899824
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Formula
C27H21N3O10
Net Charge
0
Average Mass
547.471
Monoisotopic Mass
547.12269
InChI
InChI=1S/C27H21N3O10/c1-
9-
14(24(35)
29-
18-
20(33)
12-
4-
6-
15(31)
10(2)
22(12)
39-
26(18)
37)
8-
28-
17(9)
25(36)
30-
19-
21(34)
13-
5-
7-
16(32)
11(3)
23(13)
40-
27(19)
38/h4-
8,28,31-
34H,1-
3H3,(H,29,35)
(H,30,36)
InChIKey
KUACUXAJPDYURP-UHFFFAOYSA-N
SMILES
Cc1c(c[nH]c1C(=O)Nc1c(O)c2ccc(O)c(C)c2oc1=O)C(=O)Nc1c(O)c2ccc(O)c(C)c2oc1=O
ChEBI Ontology
Outgoing
Coumermic acid (
CHEBI:31433
)
is a
hydroxycoumarin (
CHEBI:37912
)
Synonym
Source
Coumermic acid
KEGG COMPOUND
Manual Xref
Database
C12479
KEGG COMPOUND
View more database links
Last Modified
28 July 2014