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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:31848 - Migrenin (TN)
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ChEBI Ontology
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ChEBI Name
Migrenin (TN)
ChEBI ID
CHEBI:31848
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formulae
C25H30N6O10
C8H10N4O2.C11H12N2O.C6H8O7
Net Charge
0
Average Mass
574.541
Monoisotopic Mass
574.20234
InChI
InChI=1S/C11H12N2O.C8H10N4O2.C6H8O7/c1-
9-
8-
11(14)
13(12(9)
2)
10-
6-
4-
3-
5-
7-
10;1-
10-
4-
9-
6-
5(10)
7(13)
12(3)
8(14)
11(6)
2;7-
3(8)
1-
6(13,5(11)
12)
2-
4(9)
10/h3-
8H,1-
2H3;4H,1-
3H3;13H,1-
2H2,(H,7,8)
(H,9,10)
(H,11,12)
InChIKey
XCRAFTGAMMSJLO-UHFFFAOYSA-N
SMILES
C12=C(N(C(=O)N(C)C1=O)C)N=CN2C.N1(C=2C=CC=CC2)C(C=C(N1C)C)=O.C(CC(=O)O)(CC(=O)O)(C(=O)O)O
ChEBI Ontology
Outgoing
Migrenin (TN) (
CHEBI:31848
)
is a
oxopurine (
CHEBI:25810
)
Synonyms
Sources
1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one 1,3,7-trimethyl-
KEGG COMPOUND
3,7-dihydropurine-2,6-dione 2-(carboxylatomethyl)-2-hydroxy-1,
KEGG COMPOUND
4-dioxido-butane-1,4-dione
KEGG COMPOUND
Migrenin (TN)
KEGG COMPOUND
Manual Xref
Database
D01706
KEGG DRUG
View more database links
Registry Number
Type
Source
8066-49-7
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017