EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:173207 - 2',2'-Dimethyl(pyrano-5',6':3:4)-1,5-dihydroxy-6-methoxy-10-methylacridone

ChEBI IDCHEBI:173207
ChEBI Name2',2'-Dimethyl(pyrano-5',6':3:4)-1,5-dihydroxy-6-methoxy-10-methylacridone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H19NO5
Net Charge0
Average Mass353.374
Monoisotopic Mass353.12632
SMILESCOc1ccc2c(=O)c3c(O)cc4c(c3n(C)c2c1O)C=CC(C)(C)O4
InChIInChI=1S/C20H19NO5/c1-20(2)8-7-10-14(26-20)9-12(22)15-16(10)21(3)17-11(18(15)23)5-6-13(25-4)19(17)24/h5-9,22,24H,1-4H3
InChIKeyAOYGNVHBYGMHGR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
2',2'-Dimethyl(pyrano-5',6':3:4)-1,5-dihydroxy-6-methoxy-10-methylacridone (CHEBI:173207) has functional parent acridone (CHEBI:50756)
2',2'-Dimethyl(pyrano-5',6':3:4)-1,5-dihydroxy-6-methoxy-10-methylacridone (CHEBI:173207) is a acridines (CHEBI:22213)
IUPAC Name 
6,11-dihydroxy-10-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
Manual XrefsDatabases
HMDB0030265HMDB
30776822ChemSpider