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CHEBI:7482 - Narcotoline

ChEBI IDCHEBI:7482
ChEBI NameNarcotoline
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H21NO7
Net Charge0
Average Mass399.399
Monoisotopic Mass399.13180
SMILES[H][C@]1([C@@]2([H])c3c(cc4c(c3O)OCO4)CCN2C)OC(=O)c2c1ccc(OC)c2OC
InChIInChI=1S/C21H21NO7/c1-22-7-6-10-8-13-20(28-9-27-13)17(23)14(10)16(22)18-11-4-5-12(25-2)19(26-3)15(11)21(24)29-18/h4-5,8,16,18,23H,6-7,9H2,1-3H3/t16-,18+/m1/s1
InChIKeyLMGZCSKYOKDBES-AEFFLSMTSA-N
ChEBI Ontology
Outgoing Relation(s)
Narcotoline (CHEBI:7482) is a isoquinolines (CHEBI:24922)
Synonym  Source
NarcotolineKEGG COMPOUND
Manual XrefsDatabases
C09593KEGG COMPOUND
C00001892KNApSAcK
Registry NumbersSources
CAS:521-40-4KEGG COMPOUND