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CHEBI:38 - (+)-O-Methylthalicberine

ChEBI IDCHEBI:38
ChEBI Name(+)-O-Methylthalicberine
Stars
Last Modified12 August 2016
DownloadsMolfile
FormulaC38H42N2O6
Net Charge0
Average Mass622.762
Monoisotopic Mass622.30429
SMILESCOc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3
InChIInChI=1S/C38H42N2O6/c1-39-15-13-25-20-34-32(42-4)22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1
InChIKeyUUURWWVPMHAACP-KYJUHHDHSA-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)
(+)-O-Methylthalicberine (CHEBI:38) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
(+)-O-Methylthalicberine (CHEBI:38) is a isoquinolines (CHEBI:24922)
Synonyms  Source
(+)-O-MethylthalicberineKEGG COMPOUND
ThalmidineKEGG COMPOUND
Manual XrefsDatabases
C09590KEGG COMPOUND
C00001888KNApSAcK
Registry NumbersSources
CAS:5096-71-9KEGG COMPOUND