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CHEBI:125538 - (1S,15S,18S,19S,20S)-N-[2-(4-aminophenyl)ethyl]-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxamide

ChEBI IDCHEBI:125538
ChEBI Name(1S,15S,18S,19S,20S)-N-[2-(4-aminophenyl)ethyl]-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxamide
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DownloadsMolfile
FormulaC28H34N4O2
Net Charge0
Average Mass458.606
Monoisotopic Mass458.26818
SMILESNc1ccc(CCNC(=O)[C@H]2[C@H]3C[C@H]4c5nc6ccccc6c5CCN4C[C@H]3CC[C@@H]2O)cc1
InChIInChI=1S/C28H34N4O2/c29-19-8-5-17(6-9-19)11-13-30-28(34)26-22-15-24-27-21(20-3-1-2-4-23(20)31-27)12-14-32(24)16-18(22)7-10-25(26)33/h1-6,8-9,18,22,24-26,31,33H,7,10-16,29H2,(H,30,34)/t18-,22+,24+,25+,26+/m1/s1
InChIKeyLIYGLGZKJWIQDC-XYCLDAKMSA-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)
(1S,15S,18S,19S,20S)-N-[2-(4-aminophenyl)ethyl]-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxamide (CHEBI:125538) is a alkaloid (CHEBI:22315)
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