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CHEBI:4323 - Daphnoline

ChEBI IDCHEBI:4323
ChEBI NameDaphnoline
Stars
Last Modified12 August 2016
DownloadsMolfile
FormulaC35H36N2O6
Net Charge0
Average Mass580.681
Monoisotopic Mass580.25734
SMILES[H][C@@]12Cc3ccc(O)c(c3)Oc3ccc(cc3)C[C@@]3([H])c4c(cc(OC)c(O)c4Oc4cc1c(cc4OC)CCN2)CCN3C
InChIInChI=1S/C35H36N2O6/c1-37-13-11-23-18-32(41-3)34(39)35-33(23)27(37)15-20-4-7-24(8-5-20)42-29-16-21(6-9-28(29)38)14-26-25-19-31(43-35)30(40-2)17-22(25)10-12-36-26/h4-9,16-19,26-27,36,38-39H,10-15H2,1-3H3/t26-,27+/m1/s1
InChIKeyAKGWXHYTRBFUAD-SXOMAYOGSA-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)
Daphnoline (CHEBI:4323) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Daphnoline (CHEBI:4323) is a isoquinolines (CHEBI:24922)
Synonym  Source
DaphnolineKEGG COMPOUND
Manual XrefsDatabases
C09418KEGG COMPOUND
C00001844KNApSAcK
Registry NumbersSources
CAS:479-36-7KEGG COMPOUND