EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:141907 - goniomedine A N-oxide

ChEBI IDCHEBI:141907
ChEBI Namegoniomedine A N-oxide
Stars
Last Modified29 August 2018
Submittermwilliams
DownloadsMolfile
FormulaC40H49N4O5
Net Charge+1
Average Mass665.855
Monoisotopic Mass665.36975
SMILES[H][C@]12C[C@@]3([H])[C@@]45Oc6cc7c(cc6C[C@]4(CC[N+]3([O-])C/C1=C/C)c1ccccc1N5[C@]2([H])C(=O)OC)[C@]1(O)CC[N@+]23CCC[C@](CC)(CC[C@@]12N7)C3
InChIInChI=1S/C40H49N4O5/c1-4-25-23-44(47)18-14-37-22-26-19-29-30(41-39-13-12-36(5-2)11-8-16-43(39,24-36)17-15-38(29,39)46)21-32(26)49-40(37)33(44)20-27(25)34(35(45)48-3)42(40)31-10-7-6-9-28(31)37/h4,6-7,9-10,19,21,27,33-34,41,46H,5,8,11-18,20,22-24H2,1-3H3/q+1/b25-4-/t27-,33-,34-,36+,37+,38+,39-,40+,43-,44?/m0/s1
InChIKeyNWYINGBEUFKIIL-NSOTUHFVSA-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)
goniomedine A N-oxide (CHEBI:141907) is a monoterpenoid indole alkaloid (CHEBI:65323)