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CHEBI:141961 - Villalstonine

ChEBI IDCHEBI:141961
ChEBI NameVillalstonine
Stars
Last Modified3 September 2018
Submittermwilliams
DownloadsMolfile
FormulaC41H48N4O4
Net Charge0
Average Mass660.859
Monoisotopic Mass660.36756
SMILES[H]C12CC3C(CO[C@]4(C)O[C@]56N7c8ccccc8[C@]5(CCN5C/C(=C/C)[C@]([H])(C[C@]56[H])[C@@]7([H])C(=O)OC)CC34)C(Cc3c1n(C)c1ccccc31)N2C
InChIInChI=1S/C41H48N4O4/c1-6-23-21-44-16-15-40-20-30-26-17-34-36-27(24-11-7-9-13-31(24)43(36)4)18-33(42(34)3)28(26)22-48-39(30,2)49-41(40)35(44)19-25(23)37(38(46)47-5)45(41)32-14-10-8-12-29(32)40/h6-14,25-26,28,30,33-35,37H,15-22H2,1-5H3/b23-6-/t25-,26?,28?,30?,33?,34?,35-,37-,39+,40-,41-/m0/s1
InChIKeyXXNYZYBYNFRERU-UILZBOIPSA-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)
Villalstonine (CHEBI:141961) is a monoterpenoid indole alkaloid (CHEBI:65323)