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CHEBI:2689 - Amurine

ChEBI IDCHEBI:2689
ChEBI NameAmurine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H19NO4
Net Charge0
Average Mass325.364
Monoisotopic Mass325.13141
SMILESCOC1=C[C@]23CCN(C)[C@H](Cc4cc5c(cc42)OCO5)C3=CC1=O
InChIInChI=1S/C19H19NO4/c1-20-4-3-19-9-18(22-2)15(21)7-13(19)14(20)5-11-6-16-17(8-12(11)19)24-10-23-16/h6-9,14H,3-5,10H2,1-2H3/t14-,19-/m1/s1
InChIKeyHTAGIZQYGRLQQX-AUUYWEPGSA-N
ChEBI Ontology
Outgoing Relation(s)
Amurine (CHEBI:2689) is a isoquinolines (CHEBI:24922)
Synonym  Source
AmurineKEGG COMPOUND
Manual XrefsDatabases
C09334KEGG COMPOUND
C00001802KNApSAcK
Registry NumbersSources
CAS:4984-99-0KEGG COMPOUND