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CHEBI:6087 - Jatrorrhizine

ChEBI IDCHEBI:6087
ChEBI NameJatrorrhizine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H20NO4
Net Charge+1
Average Mass338.383
Monoisotopic Mass338.13868
SMILESCOc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
InChIInChI=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
InChIKeyMXTLAHSTUOXGQF-UHFFFAOYSA-O
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)
Jatrorrhizine (CHEBI:6087) is a alkaloid (CHEBI:22315)
Synonym  Source
JatrorrhizineKEGG COMPOUND
Manual XrefsDatabases
C00001874KNApSAcK
C09553KEGG COMPOUND
Registry NumbersSources
CAS:3621-38-3KEGG COMPOUND