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CHEBI:48562 - rauwolscine

ChEBI IDCHEBI:48562
ChEBI Namerauwolscine
Stars
Last Modified25 February 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC21H26N2O3
Net Charge0
Average Mass354.450
Monoisotopic Mass354.19434
SMILES[H][C@]12CC[C@H](O)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])c3nc4ccccc4c3CCN1C2
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/t12-,15+,17+,18+,19+/m1/s1
InChIKeyBLGXFZZNTVWLAY-DIRVCLHFSA-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)
rauwolscine (CHEBI:48562) is a methyl 17-hydroxy-20ξ-yohimban-16-carboxylate (CHEBI:48565)
IUPAC Name 
methyl 17α-hydroxy-20α-yohimban-16β-carboxylate
Synonyms  Source
methyl (16β,17α,20α)-17-hydroxyyohimban-16-carboxylateChemIDplus
rauwolscineIUPHAR
α-yohimbineChemIDplus
corynanthidineIUPHAR
isoyohimbineIUPHAR
mesoyohimbineIUPHAR
Manual XrefsDatabases
LSM-15381LINCS
Registry NumbersSources
Beilstein:97277Beilstein
CAS:131-03-3ChemIDplus