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CHEBI:10 - (+)-Atherospermoline

ChEBI IDCHEBI:10
ChEBI Name(+)-Atherospermoline
Stars
Last Modified12 August 2016
DownloadsMolfile
FormulaC36H38N2O6
Net Charge0
Average Mass594.708
Monoisotopic Mass594.27299
SMILESCOc1cc2c3cc1Oc1c(O)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)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)43-30-17-22(7-10-29(30)39)16-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m0/s1
InChIKeyXGEAUXVPBXUBKN-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)
(+)-Atherospermoline (CHEBI:10) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Synonym  Source
(+)-AtherospermolineKEGG COMPOUND
Manual XrefsDatabases
C00001814KNApSAcK
C11141KEGG COMPOUND
Registry NumbersSources
CAS:21008-67-3KEGG COMPOUND