EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:39821 - 5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-4,7-DIONE

Default Structure
ChEBI IDCHEBI:39821
ChEBI Name5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-4,7-DIONE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC18H17NO4
Net Charge0
Average Mass311.337
Monoisotopic Mass311.11576
SMILES[H]C1=C(OC([H])([H])[H])C(=O)c2c(C([H])([H])Oc3c([H])c([H])c([H])c([H])c3[H])c(C([H])([H])[H])n(C([H])([H])[H])c2C1=O
InChIInChI=1S/C18H17NO4/c1-11-13(10-23-12-7-5-4-6-8-12)16-17(19(11)2)14(20)9-15(22-3)18(16)21/h4-9H,10H2,1-3H3
InChIKeyJRPJCFILHCLEJI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-4,7-DIONE (CHEBI:39821) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5-methoxy-1,2-dimethyl-3-(phenoxymethyl)-1H-indole-4,7-dionePDBeChem
5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-4,7-DIONEPDBeChem
Manual XrefsDatabases
340PDBeChem