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CHEBI:8836 - Rhoeadine

ChEBI IDCHEBI:8836
ChEBI NameRhoeadine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H21NO6
Net Charge0
Average Mass383.400
Monoisotopic Mass383.13689
SMILES[H][C@@]12c3ccc4c(c3[C@@H](OC)O[C@]1([H])c1cc3c(cc1CCN2C)OCO3)OCO4
InChIInChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19-,21+/m1/s1
InChIKeyXRBIHOLQAKITPP-SBHAEUEKSA-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)
Rhoeadine (CHEBI:8836) is a alkaloid (CHEBI:22315)
Synonym  Source
RhoeadineKEGG COMPOUND
Manual XrefsDatabases
C00001911KNApSAcK
C09619KEGG COMPOUND
Registry NumbersSources
CAS:2718-25-4KEGG COMPOUND