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Dioscoretine

Properties

Image

Occurences in reactions

MNX_ID

MNXM125010

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₃H₂₃NO₃

charge

mass

241.16779

reference

InChIKey

YWVYEZNFPRWGMM-UHFFFAOYSA-N

InChI

InChI=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)

SMILES

CC(CC(=O)O)CC1(O)CC2CCC1CN2C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
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