CHEBI:7482 - Narcotoline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Narcotoline
ChEBI ID CHEBI:7482
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H21NO7
Net Charge 0
Average Mass 399.395
Monoisotopic Mass 399.13180
InChI InChI=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
InChIKey LMGZCSKYOKDBES-AEFFLSMTSA-N
SMILES COc1ccc2[C@H](OC(=O)c2c1OC)C1N(C)CCc2cc3OCOc3c(O)c12
ChEBI Ontology
Outgoing Narcotoline (CHEBI:7482) is a isoquinolines (CHEBI:24922)
Synonym Source
Narcotoline KEGG COMPOUND
Manual Xrefs Databases
C00001892 KNApSAcK
C09593 KEGG COMPOUND
View more database links
Registry Number Type Source
521-40-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014