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CHEBI:35633 - yohimbic acid

ChEBI IDCHEBI:35633
ChEBI Nameyohimbic acid
Stars
Last Modified25 February 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC20H24N2O3
Net Charge0
Average Mass340.423
Monoisotopic Mass340.17869
SMILES[H][C@@]12CC[C@H](O)[C@]([H])(C(=O)O)[C@@]1([H])C[C@@]1([H])c3nc4ccccc4c3CCN1C2
InChIInChI=1S/C20H24N2O3/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25)/t11-,14-,16-,17-,18+/m0/s1
InChIKeyAADVZSXPNRLYLV-GKMXPDSGSA-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)
yohimbic acid (CHEBI:35633) has functional parent 17α-yohimbol (CHEBI:35636)
yohimbic acid (CHEBI:35633) is a yohimban alkaloid (CHEBI:27358)
Incoming Relation(s)
yohimbine (CHEBI:10093) has functional parent yohimbic acid (CHEBI:35633)
IUPAC Name 
17α-hydroxyyohimban-16α-carboxylic acid
Synonyms  Source
yohimbic acidChemIDplus
yohimbinic acidChemIDplus
YohimbinsäureChEBI
Manual XrefsDatabases
LSM-6586LINCS
Registry NumbersSources
Beilstein:96991Beilstein
CAS:522-87-2ChemIDplus