CHEBI:228857 - Coptisine chloride

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Coptisine chloride
ChEBI ID CHEBI:228857
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H14NO4.Cl
Net Charge 0
Average Mass 355.770
Monoisotopic Mass 355.06114
InChI InChI=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
InChIKey LUXPUVKJHVUJAV-UHFFFAOYSA-M
SMILES [Cl-].O1C=2C=C3C4=[N+](CCC3=CC2OC1)C=C5C(=C4)C=CC=6OCOC56
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing 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 Xref Database
65267 ChemSpider
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