EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:181882 - 3-(3,4-Dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid

ChEBI IDCHEBI:181882
ChEBI Name3-(3,4-Dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22N4O6
Net Charge0
Average Mass450.451
Monoisotopic Mass450.15393
SMILESCC1(C)C(=O)N2c3ccccc3C(O)(CC(C(=O)O)n3cnc4ccccc4c3=O)C2N1O
InChIInChI=1S/C23H22N4O6/c1-22(2)21(31)26-16-10-6-4-8-14(16)23(32,20(26)27(22)33)11-17(19(29)30)25-12-24-15-9-5-3-7-13(15)18(25)28/h3-10,12,17,20,32-33H,11H2,1-2H3,(H,29,30)
InChIKeyGVRDYBOOMKTYKH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(3,4-Dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid (CHEBI:181882) is a quinazolines (CHEBI:38530)
IUPAC Name 
3-(3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid
Manual XrefsDatabases
22943261ChemSpider