Feedback

Dioscoretine

PropertiesImageOccurences in reactions
MNX_IDMNXM125010Image of MNXM125010
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC13H23NO3
charge0
mass241.16779
referencechebi:173742
InChIKeyYWVYEZNFPRWGMM-UHFFFAOYSA-N
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)
SMILESCC(CC(=O)O)CC1(O)CC2CCC1CN2C
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:173742
chebi:173742
Dioscoretine
4-(5-hydroxy-2-methyl-2-azabicyclo[2.2.2]octan-5-yl)-3-methylbutanoic acid
hmdb:HMDB0038588 Dioscoretine
4-{5-hydroxy-2-methyl-2-azabicyclo[2.2.2]octan-5-yl}-3-methylbutanoate
4-{5-hydroxy-2-methyl-2-azabicyclo[2.2.2]octan-5-yl}-3-methylbutanoic acid
Dioscoretin
hmdb:HMDB38588 secondary/obsolete/fantasy identifier