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CHEBI:3148 - Boldine

Default Structure
ChEBI IDCHEBI:3148
ChEBI NameBoldine
Stars
Last Modified4 January 2017
DownloadsMolfile
FormulaC19H21NO4
Net Charge0
Average Mass327.380
Monoisotopic Mass327.14706
SMILES[H][C@]12Cc3cc(O)c(OC)cc3-c3c(OC)c(O)cc(c31)CCN2C
InChIInChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
InChIKeyLZJRNLRASBVRRX-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)
Boldine (CHEBI:3148) is a aporphine alkaloid (CHEBI:134209)
Synonym  Source
BoldineKEGG COMPOUND
Manual XrefsDatabases
C00001822KNApSAcK
C00027304KNApSAcK
C09365KEGG COMPOUND
LSM-2047LINCS
Registry NumbersSources
CAS:476-70-0KEGG COMPOUND