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CHEBI:48565 - methyl 17-hydroxy-20ξ-yohimban-16-carboxylate

ChEBI IDCHEBI:48565
ChEBI Namemethyl 17-hydroxy-20ξ-yohimban-16-carboxylate
Stars
ASCII Namemethyl 17-hydroxy-20xi-yohimban-16-carboxylate
Last Modified7 December 2018
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC21H26N2O3
Net Charge0
Average Mass354.450
Monoisotopic Mass354.19434
SMILESCOC(=O)C1C(O)CCC2CN3CCc4c(nc5ccccc45)C3CC21
InChIInChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3
InChIKeyBLGXFZZNTVWLAY-UHFFFAOYSA-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 17-hydroxy-20ξ-yohimban-16-carboxylate (CHEBI:48565) is a methyl ester (CHEBI:25248)
methyl 17-hydroxy-20ξ-yohimban-16-carboxylate (CHEBI:48565) is a organic heteropentacyclic compound (CHEBI:38164)
methyl 17-hydroxy-20ξ-yohimban-16-carboxylate (CHEBI:48565) is a yohimban alkaloid (CHEBI:27358)
Incoming Relation(s)
allo-yohimbine (CHEBI:48567) is a methyl 17-hydroxy-20ξ-yohimban-16-carboxylate (CHEBI:48565)
pseudoyohimbine (CHEBI:141949) is a methyl 17-hydroxy-20ξ-yohimban-16-carboxylate (CHEBI:48565)
rauwolscine (CHEBI:48562) is a methyl 17-hydroxy-20ξ-yohimban-16-carboxylate (CHEBI:48565)
yohimbine (CHEBI:10093) is a methyl 17-hydroxy-20ξ-yohimban-16-carboxylate (CHEBI:48565)
IUPAC Name 
methyl 17-hydroxy-20ξ-yohimban-16-carboxylate
Manual XrefsDatabases
LSM-1614LINCS
Registry NumbersSources
Beilstein:97273Beilstein