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CHEBI:3164 - Bracteoline

ChEBI IDCHEBI:3164
ChEBI NameBracteoline
Stars
Last Modified4 January 2017
DownloadsMolfile
FormulaC19H21NO4
Net Charge0
Average Mass327.380
Monoisotopic Mass327.14706
SMILES[H][C@]12Cc3cc(OC)c(O)cc3-c3c(O)c(OC)cc(c31)CCN2C
InChIInChI=1S/C19H21NO4/c1-20-5-4-10-7-16(24-3)19(22)18-12-9-14(21)15(23-2)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
InChIKeyPLEOQAHCVRVCDL-ZDUSSCGKSA-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)
Bracteoline (CHEBI:3164) is a aporphine alkaloid (CHEBI:134209)
Synonym  Source
BracteolineKEGG COMPOUND
Manual XrefsDatabases
C09366KEGG COMPOUND
C00001823KNApSAcK
C00027305KNApSAcK
Registry NumbersSources
CAS:25651-04-1KEGG COMPOUND