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CHEBI:5986 - Isoboldine

ChEBI IDCHEBI:5986
ChEBI NameIsoboldine
Stars
Last Modified4 January 2017
DownloadsMolfile
FormulaC19H21NO4
Net Charge0
Average Mass327.380
Monoisotopic Mass327.14706
SMILES[H][C@]12Cc3cc(O)c(OC)cc3-c3c(O)c(OC)cc(c31)CCN2C
InChIInChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
InChIKeyLINHZVMHXABQLB-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)
Isoboldine (CHEBI:5986) is a aporphine alkaloid (CHEBI:134209)
Synonyms  Source
IsoboldineKEGG COMPOUND
6aalpha-Aporphine-1,9-diol, 2,10-dimethoxy-KEGG COMPOUND
(+)-IsoboldineKEGG COMPOUND
IsoboldineKEGG COMPOUND
2,10-Dimethoxy-6aalpha-aporphine-1,9-diolKEGG COMPOUND
Manual XrefsDatabases
C09541KEGG COMPOUND
C00001869KNApSAcK
Registry NumbersSources
CAS:3019-51-0KEGG COMPOUND