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CHEBI:182086 - Catharanthine hcl

ChEBI IDCHEBI:182086
ChEBI NameCatharanthine hcl
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24N2O2
Net Charge0
Average Mass336.435
Monoisotopic Mass336.18378
SMILESCCC1=CC2CN3CCc4c(nc5ccccc45)C(C(=O)OC)(C2)C13
InChIInChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3
InChIKeyCMKFQVZJOWHHDV-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)
Catharanthine hcl (CHEBI:182086) is a alkaloid (CHEBI:22315)
IUPAC Name 
methyl 17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate
Manual XrefsDatabases
370512ChemSpider