EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174129 - 5-Hydroxy-4-methoxy-3-methyl-2,6-canthinedione

ChEBI IDCHEBI:174129
ChEBI Name5-Hydroxy-4-methoxy-3-methyl-2,6-canthinedione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12N2O4
Net Charge0
Average Mass296.282
Monoisotopic Mass296.07971
SMILESCOc1c(O)c(=O)n2c3ccccc3c3cc(=O)n(C)c1c32
InChIInChI=1S/C16H12N2O4/c1-17-11(19)7-9-8-5-3-4-6-10(8)18-12(9)13(17)15(22-2)14(20)16(18)21/h3-7,20H,1-2H3
InChIKeyCQFOPDQAOBCODL-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
5-Hydroxy-4-methoxy-3-methyl-2,6-canthinedione (CHEBI:174129) is a alkaloid (CHEBI:22315)
5-Hydroxy-4-methoxy-3-methyl-2,6-canthinedione (CHEBI:174129) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name 
3-hydroxy-4-methoxy-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione
Manual XrefsDatabases
30777512ChemSpider
HMDB0040798HMDB