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CHEBI:181693 - Methyl (1R,9S,11S,14E,15S,17S)-19-(acetyloxymethyl)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate

ChEBI IDCHEBI:181693
ChEBI NameMethyl (1R,9S,11S,14E,15S,17S)-19-(acetyloxymethyl)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26N2O5
Net Charge0
Average Mass410.470
Monoisotopic Mass410.18417
SMILES[H][C@]12C[C@]3([H])N(C/C1=C/C)[C@]1([H])C[C@]4(c5ccccc5N[C@@]43O1)C2(COC(C)=O)C(=O)OC
InChIInChI=1S/C23H26N2O5/c1-4-14-11-25-18-9-16(14)21(20(27)28-3,12-29-13(2)26)22-10-19(25)30-23(18,22)24-17-8-6-5-7-15(17)22/h4-8,16,18-19,24H,9-12H2,1-3H3/b14-4-/t16-,18-,19-,21?,22-,23-/m0/s1
InChIKeyDXTJMQCRVFWNBD-ATDXHQETSA-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)
Methyl (1R,9S,11S,14E,15S,17S)-19-(acetyloxymethyl)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate (CHEBI:181693) is a alkaloid (CHEBI:22315)
IUPAC Name 
methyl (1R,9S,11S,14E,15S,17S)-19-(acetyloxymethyl)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate