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CHEBI:173742 - Dioscoretine

ChEBI IDCHEBI:173742
ChEBI NameDioscoretine
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SubmitterMetaboLights
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FormulaC13H23NO3
Net Charge0
Average Mass241.331
Monoisotopic Mass241.16779
SMILESCC(CC(=O)O)CC1(O)CC2CCC1CN2C
InChIInChI=1S/C13H23NO3/c1-9(5-12(15)16)6-13(17)7-11-4-3-10(13)8-14(11)2/h9-11,17H,3-8H2,1-2H3,(H,15,16)
InChIKeyYWVYEZNFPRWGMM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Dioscoretine (CHEBI:173742) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
4-(5-hydroxy-2-methyl-2-azabicyclo[2.2.2]octan-5-yl)-3-methylbutanoic acid
Manual XrefsDatabases
8235809ChemSpider
HMDB0038588HMDB