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CHEBI:11 - (+)-Bebeerine

ChEBI IDCHEBI:11
ChEBI Name(+)-Bebeerine
Stars
Last Modified12 August 2016
DownloadsMolfile
FormulaC36H38N2O6
Net Charge0
Average Mass594.708
Monoisotopic Mass594.27299
SMILES[H][C@]12Cc3ccc(cc3)Oc3c(O)c(OC)cc4c3[C@]([H])(Cc3ccc(O)c(c3)Oc3cc1c(cc3OC)CCN2C)N(C)CC4
InChIInChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m0/s1
InChIKeyNGZXDRGWBULKFA-NSOVKSMOSA-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)
(+)-Bebeerine (CHEBI:11) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
(+)-Bebeerine (CHEBI:11) is a isoquinolines (CHEBI:24922)
Synonyms  Source
(+)-BebeerineKEGG COMPOUND
BebeerineKEGG COMPOUND
Manual XrefsDatabases
C09352KEGG COMPOUND
C00001816KNApSAcK
Registry NumbersSources
CAS:477-60-1KEGG COMPOUND