CHEBI:6087 - Jatrorrhizine

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ChEBI Name Jatrorrhizine
ChEBI ID CHEBI:6087
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H20NO4
Net Charge +1
Average Mass 338.378
Monoisotopic Mass 338.139
InChI InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1
InChIKey MXTLAHSTUOXGQF-UHFFFAOYSA-O
SMILES COc1cc-2c(CC[n+]3cc4c(OC)c(OC)ccc4cc-23)cc1O
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 Jatrorrhizine (CHEBI:6087) is a alkaloid (CHEBI:22315)
Synonym Source
Jatrorrhizine KEGG COMPOUND
Manual Xrefs Databases
C00001874 KNApSAcK
C09553 KEGG COMPOUND
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Registry Number Type Source
3621-38-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014