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CHEBI:190971 - 11,12-methylenedioxykopsinaline

ChEBI IDCHEBI:190971
ChEBI Name11,12-methylenedioxykopsinaline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26N2O5
Net Charge0
Average Mass398.459
Monoisotopic Mass398.18417
SMILES[H][C@]12N3CCC[C@]14CC[C@@]1(Nc5c(ccc6c5OCO6)[C@@]12CC3)[C@](O)(C(=O)OC)C4
InChIInChI=1S/C22H26N2O5/c1-27-18(25)21(26)11-19-5-2-9-24-10-8-20(17(19)24)13-3-4-14-16(29-12-28-14)15(13)23-22(20,21)7-6-19/h3-4,17,23,26H,2,5-12H2,1H3/t17-,19+,20+,21+,22-/m0/s1
InChIKeyJVIKUDVTJCANPX-NBYDKTAJSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
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)
11,12-methylenedioxykopsinaline (CHEBI:190971) is a indole alkaloid (CHEBI:38958)
IUPAC Name 
methyl (1S,12R,19R,21S,24S)-21-hydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.112,15.01,12.03,11.04,8.019,24]tetracosa-3(11),4(8),9-triene-21-carboxylate