methyl 17-hydroxy-20xi-yohimban-16-carboxylate (CHEBI:48565)

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ChEBI Name	methyl 17-hydroxy-20ξ-yohimban-16-carboxylate

ChEBI ID	CHEBI:48565

ChEBI ASCII Name	methyl 17-hydroxy-20xi-yohimban-16-carboxylate

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C21H26N2O3

Net Charge

Average Mass

354.44282

Monoisotopic Mass

354.19434

InChI

InChI=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

InChIKey

BLGXFZZNTVWLAY-UHFFFAOYSA-N

SMILES

COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	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	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

Registry Number	Type	Source
97273	Beilstein Registry Number	Beilstein

Last Modified

07 December 2018