EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182579 - 4-hydroxy-12-methoxy-7-methyl-4-propan-2-yl-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione

ChEBI IDCHEBI:182579
ChEBI Name4-hydroxy-12-methoxy-7-methyl-4-propan-2-yl-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione
Stars
Last Modified20 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19N3O5
Net Charge0
Average Mass333.344
Monoisotopic Mass333.13247
SMILESCOC1=Cc2c(nc3n(c2=O)C(C)C(=O)NC3(O)C(C)C)OC=C1
InChIInChI=1S/C16H19N3O5/c1-8(2)16(22)15-17-13-11(7-10(23-4)5-6-24-13)14(21)19(15)9(3)12(20)18-16/h5-9,22H,1-4H3,(H,18,20)
InChIKeyOSDYZSDCSJYUFO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-12-methoxy-7-methyl-4-propan-2-yl-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione (CHEBI:182579) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
4-hydroxy-12-methoxy-7-methyl-4-propan-2-yl-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione
Manual XrefsDatabases
29814403ChemSpider