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CHEBI:141873 - 3'-oxotabernaelegantine B

ChEBI IDCHEBI:141873
ChEBI Name3'-oxotabernaelegantine B
Stars
Last Modified31 August 2018
Submittermwilliams
DownloadsMolfile
FormulaC43H52N4O6
Net Charge0
Average Mass720.911
Monoisotopic Mass720.38869
SMILES[H][C@@]12C[C@]([H])(CC)[C@]3([H])N(CCc4c(nc5cc(OC)c([C@@]6([H])CC7[C@]([H])(CC)CN(C)C(Cc8c6nc6ccccc86)[C@@]7([H])C(=O)OC)cc45)[C@]3(C(=O)OC)C1)C2=O
InChIInChI=1S/C43H52N4O6/c1-7-22-15-24-20-43(42(50)53-6)38-26(13-14-47(39(22)43)40(24)48)28-17-29(35(51-4)19-33(28)45-38)30-16-27-23(8-2)21-46(3)34(36(27)41(49)52-5)18-31-25-11-9-10-12-32(25)44-37(30)31/h9-12,17,19,22-24,27,30,34,36,39,44-45H,7-8,13-16,18,20-21H2,1-6H3/t22-,23+,24+,27?,30+,34?,36-,39-,43+/m0/s1
InChIKeyGCFJFNCWQHDGOL-QTGVYYSLSA-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)
3'-oxotabernaelegantine B (CHEBI:141873) is a monoterpenoid indole alkaloid (CHEBI:65323)