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CHEBI:175149 - Isodomesticine

ChEBI IDCHEBI:175149
ChEBI NameIsodomesticine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H19NO4
Net Charge0
Average Mass325.364
Monoisotopic Mass325.13141
SMILESCOc1c(O)cc2c3c1-c1cc4c(cc1CC3N(C)CC2)OCO4
InChIInChI=1S/C19H19NO4/c1-20-4-3-10-6-14(21)19(22-2)18-12-8-16-15(23-9-24-16)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3
InChIKeyOGJUMNZGTZWIBO-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)
Isodomesticine (CHEBI:175149) is a isoquinoline alkaloid (CHEBI:24921)
IUPAC Name 
19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaen-18-ol
Manual XrefsDatabases
HMDB0033360HMDB
28283320ChemSpider