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CHEBI:181478 - Methyl (1R,4S,12S,13S,16R,18S)-18-hydroxy-17-oxo-5,14-diazaheptacyclo[12.5.3.01,13.04,12.04,18.06,11.012,16]docosa-6,8,10-triene-5-carboxylate

ChEBI IDCHEBI:181478
ChEBI NameMethyl (1R,4S,12S,13S,16R,18S)-18-hydroxy-17-oxo-5,14-diazaheptacyclo[12.5.3.01,13.04,12.04,18.06,11.012,16]docosa-6,8,10-triene-5-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24N2O4
Net Charge0
Average Mass380.444
Monoisotopic Mass380.17361
SMILES[H][C@]12N3CCC[C@]14CC[C@]15N(C(=O)OC)c6ccccc6[C@@]21[C@]([H])(C3)C(=O)[C@]5(O)C4
InChIInChI=1S/C22H24N2O4/c1-28-18(26)24-15-6-3-2-5-13(15)22-14-11-23-10-4-7-19(17(22)23)8-9-21(22,24)20(27,12-19)16(14)25/h2-3,5-6,14,17,27H,4,7-12H2,1H3/t14-,17+,19-,20-,21-,22-/m1/s1
InChIKeyYROYAGSZNDUMIF-NXVFQZFNSA-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,4S,12S,13S,16R,18S)-18-hydroxy-17-oxo-5,14-diazaheptacyclo[12.5.3.01,13.04,12.04,18.06,11.012,16]docosa-6,8,10-triene-5-carboxylate (CHEBI:181478) is a indole alkaloid (CHEBI:38958)
IUPAC Name 
methyl (1R,4S,12S,13S,16R,18S)-18-hydroxy-17-oxo-5,14-diazaheptacyclo[12.5.3.01,13.04,12.04,18.06,11.012,16]docosa-6,8,10-triene-5-carboxylate