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CHEBI:31848 - Migrenin (TN)

ChEBI IDCHEBI:31848
ChEBI NameMigrenin (TN)
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC11H12N2O.C6H8O7.C8H10N4O2
Net Charge0
Average Mass574.547
Monoisotopic Mass574.20234
SMILESCc1cc(=O)n(-c2ccccc2)n1C.Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=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)
InChIKeyXCRAFTGAMMSJLO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Migrenin (TN) (CHEBI:31848) is a oxopurine (CHEBI:25810)
Synonyms  Source
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-dioneKEGG COMPOUND
Migrenin (TN)KEGG COMPOUND
Manual XrefsDatabases
D01706KEGG DRUG
Registry NumbersSources
CAS:8066-49-7KEGG COMPOUND