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CHEBI:35611 - berbine

ChEBI IDCHEBI:35611
ChEBI Nameberbine
Stars
Last Modified30 December 2013
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC17H17N
Net Charge0
Average Mass235.330
Monoisotopic Mass235.13610
SMILESc1ccc2c(c1)CC1c3ccccc3CCN1C2
InChIInChI=1S/C17H17N/c1-2-7-15-12-18-10-9-13-5-3-4-8-16(13)17(18)11-14(15)6-1/h1-8,17H,9-12H2
InChIKeyBRLDZKPJJNASGG-UHFFFAOYSA-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)
berbine (CHEBI:35611) is a berberine alkaloid (CHEBI:22754)
berbine (CHEBI:35611) is a isoquinoline alkaloid fundamental parent (CHEBI:38515)
berbine (CHEBI:35611) is a organic heterotetracyclic compound (CHEBI:38163)
Incoming Relation(s)
2,3,9,10-tetrahydroxyberbine (CHEBI:31071) has functional parent berbine (CHEBI:35611)
α-berbine (CHEBI:50400) is a berbine (CHEBI:35611)
β-berbine (CHEBI:35614) is a berbine (CHEBI:35611)
IUPAC Name 
berbine
Synonym  Source
5,8,13,13a-tetrahydro-6H-dibenzo[a,g]quinolizineChEBI
Registry NumbersSources
Beilstein:86068Beilstein
CAS:483-49-8ChemIDplus