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CHEBI:173150 - Rutagravine

ChEBI IDCHEBI:173150
ChEBI NameRutagravine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H17NO5
Net Charge0
Average Mass339.347
Monoisotopic Mass339.11067
SMILESCn1c2ccccc2c(=O)c2c(O)cc3c(c21)C1OCC(C)(O)C1O3
InChIInChI=1S/C19H17NO5/c1-19(23)8-24-17-14-12(25-18(17)19)7-11(21)13-15(14)20(2)10-6-4-3-5-9(10)16(13)22/h3-7,17-18,21,23H,8H2,1-2H3
InChIKeySWALXCKAJQTSAC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
Rutagravine (CHEBI:173150) has functional parent acridone (CHEBI:50756)
Rutagravine (CHEBI:173150) is a acridines (CHEBI:22213)
IUPAC Name 
6,11-dihydroxy-6,20-dimethyl-4,8-dioxa-20-azapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),10,14,16,18-hexaen-13-one
Manual XrefsDatabases
HMDB0033446HMDB
4577337ChemSpider