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CHEBI:141906 - Goniomedinone

ChEBI IDCHEBI:141906
ChEBI NameGoniomedinone
Stars
Last Modified29 August 2018
Submittermwilliams
DownloadsMolfile
FormulaC40H47N4O5
Net Charge+1
Average Mass663.839
Monoisotopic Mass663.35410
SMILES[H][C@@]12C[C@]3([H])N(CC[C@]45C(=O)c6cc7c(cc6O[C@@]43N(c3ccccc35)[C@]1([H])C(=O)OC)N[C@@]13CC[C@@]4(CC)CCC[N@+]1(CC[C@@]73O)C4)C/C2=C/C
InChIInChI=1S/C40H46N4O5/c1-4-24-22-42-16-14-37-27-9-6-7-10-30(27)43-33(35(46)48-3)25(24)20-32(42)40(37,43)49-31-21-29-28(19-26(31)34(37)45)38(47)15-18-44-17-8-11-36(5-2,23-44)12-13-39(38,44)41-29/h4,6-7,9-10,19,21,25,32-33,47H,5,8,11-18,20,22-23H2,1-3H3/p+1/b24-4-/t25-,32-,33-,36+,37-,38+,39-,40+,44-/m0/s1
InChIKeyCBBXXVJTZYTTBO-WNCFEGANSA-O
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)
Goniomedinone (CHEBI:141906) is a monoterpenoid indole alkaloid (CHEBI:65323)