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ChEBI
> Main
CHEBI:31982 - Perisoxal citrate
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ChEBI Ontology
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ChEBI Name
Perisoxal citrate
ChEBI ID
CHEBI:31982
Stars
This entity has been manually annotated by a third party.
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Formulae
2C16H20N2O2.C6H8O7
C38H48N4O11
Net Charge
0
Average Mass
736.809
Monoisotopic Mass
736.33196
InChI
InChI=1S/2C16H20N2O2.C6H8O7/c2*19-
15(12-
18-
9-
5-
2-
6-
10-
18)
14-
11-
16(20-
17-
14)
13-
7-
3-
1-
4-
8-
13;7-
3(8)
1-
6(13,5(11)
12)
2-
4(9)
10/h2*1,3-
4,7-
8,11,15,19H,2,5-
6,9-
10,12H2;13H,1-
2H2,(H,7,8)
(H,9,10)
(H,11,12)
InChIKey
OOSOWXQJLLTIAF-UHFFFAOYSA-N
SMILES
C1(=NOC(C2=CC=CC=C2)
=C1)
C(O)
CN3CCCCC3.C(CC(O)
=O)
(CC(O)
=O)
(C(O)
=O)
O.C1(=NOC(C2=CC=CC=C2)
=C1)
C(O)
CN3CCCCC3
ChEBI Ontology
Outgoing
Perisoxal citrate (
CHEBI:31982
)
is a
carbonyl compound (
CHEBI:36586
)
Synonym
Source
Perisoxal citrate
KEGG COMPOUND
Manual Xref
Database
D01439
KEGG DRUG
View more database links
Registry Number
Type
Source
2139-25-5
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017