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CHEBI:228857 - Coptisine chloride

ChEBI IDCHEBI:228857
ChEBI NameCoptisine chloride
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H14NO4.Cl
Net Charge0
Average Mass355.777
Monoisotopic Mass355.06114
SMILES[Cl-].c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4
InChIInChI=1S/C19H14NO4.ClH/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14;/h1-2,5-8H,3-4,9-10H2;1H/q+1;/p-1
InChIKeyLUXPUVKJHVUJAV-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
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)
Coptisine chloride (CHEBI:228857) is a alkaloid (CHEBI:22315)
IUPAC Name 
5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene;chloride
Manual XrefsDatabases
65267ChemSpider