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CHEBI:141881 - Bipleiophylline

ChEBI IDCHEBI:141881
ChEBI NameBipleiophylline
Stars
Last Modified29 August 2018
Submittermwilliams
DownloadsMolfile
FormulaC47H46N4O8
Net Charge0
Average Mass794.905
Monoisotopic Mass794.33156
SMILES[H][C@@]12C[C@]3([H])N(CC[C@@]45c6ccccc6N([C@]43Oc3c5cc4c(c3O)C(=O)O[C@@]35N6c7ccccc7[C@]43CCN3C/C(=C/C)[C@]([H])(C[C@]35[H])[C@@]6([H])C(=O)OC)[C@]1([H])C(=O)OC)C/C2=C/C
InChIInChI=1S/C47H46N4O8/c1-5-24-22-48-18-16-45-29-12-8-10-14-33(29)50-37(42(54)56-3)26(24)19-34(48)46(45,50)58-40-31(45)21-30-36(39(40)52)41(53)59-47-35-20-27-25(6-2)23-49(35)17-15-44(30,47)28-11-7-9-13-32(28)51(47)38(27)43(55)57-4/h5-14,21,26-27,34-35,37-38,52H,15-20,22-23H2,1-4H3/b24-5-,25-6-/t26-,27-,34-,35-,37-,38-,44+,45-,46+,47+/m0/s1
InChIKeyKPBHIHSIHGSYNE-JEXWOTFPSA-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)
Bipleiophylline (CHEBI:141881) is a monoterpenoid indole alkaloid (CHEBI:65323)