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CHEBI:141965 - Voacalgine A

ChEBI IDCHEBI:141965
ChEBI NameVoacalgine A
Stars
Last Modified3 September 2018
Submittermwilliams
DownloadsMolfile
FormulaC27H26N2O6
Net Charge0
Average Mass474.513
Monoisotopic Mass474.17909
SMILES[H][C@@]12C[C@]3([H])N(CC[C@@]45c6ccccc6N([C@@]43OC(=O)c3c5ccc(O)c3O)[C@]1([H])C(=O)OC)C/C2=C/C
InChIInChI=1S/C27H26N2O6/c1-3-14-13-28-11-10-26-16-6-4-5-7-18(16)29-22(25(33)34-2)15(14)12-20(28)27(26,29)35-24(32)21-17(26)8-9-19(30)23(21)31/h3-9,15,20,22,30-31H,10-13H2,1-2H3/b14-3-/t15-,20-,22-,26-,27-/m0/s1
InChIKeyAQFWYTNPVDQLGS-VBCBCQGPSA-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)
Voacalgine A (CHEBI:141965) is a monoterpenoid indole alkaloid (CHEBI:65323)