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CHEBI:141896 - Desoxycabufiline

ChEBI IDCHEBI:141896
ChEBI NameDesoxycabufiline
Stars
Last Modified31 August 2018
Submittermwilliams
DownloadsMolfile
FormulaC44H54N4O6
Net Charge0
Average Mass734.938
Monoisotopic Mass734.40434
SMILES[H][C@@]1(C(=O)OC)[C@@]23CCN4C/C(=C/C)[C@]1([H])CC4[C@]2([H])N(C)c1cc(OC)c(-c2cc4c(cc2OC)[C@]25CCN6C/C(=C\C)[C@]([H])(CCC62N4C)[C@@]5([H])C(=O)OC)cc13
InChIInChI=1S/C44H54N4O6/c1-9-24-22-47-15-13-42-30-17-28(36(52-6)21-32(30)45(3)39(42)34(47)18-27(24)37(42)40(49)53-7)29-19-33-31(20-35(29)51-5)43-14-16-48-23-25(10-2)26(38(43)41(50)54-8)11-12-44(43,48)46(33)4/h9-10,17,19-21,26-27,34,37-39H,11-16,18,22-23H2,1-8H3/b24-9-,25-10+/t26-,27-,34?,37+,38-,39-,42-,43-,44?/m0/s1
InChIKeyCVXODHBTCATAHB-VGGVLDFZSA-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)
Desoxycabufiline (CHEBI:141896) is a monoterpenoid indole alkaloid (CHEBI:65323)