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Dioscorine

PropertiesImageOccurences in reactions
MNX_IDMNXM51088Image of MNXM51088
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC13H19NO2
charge0
mass221.14158
referencechebi:4628
InChIKeyYBQKKTNDAXVYGX-WZRBSPASSA-N
InChIInChI=1S/C13H19NO2/c1-9-5-12(15)16-13(6-9)7-11-4-3-10(13)8-14(11)2/h5,10-11H,3-4,6-8H2,1-2H3/t10-,11-,13+/m1/s1
SMILESCC1=CC(=O)O[C@@]2(C1)C[C@H]1CC[C@@H]2CN1C
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd07031
seedM:cpd07031
CHEBI:4628
chebi:4628
kegg.compound:C10142
keggC:C10142 		Dioscorine
hmdb:HMDB0030305 Dioscorine
2,4'-Dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-[2H]pyran]-6'(3'H)-one, 9ci
4',5-dimethyl-3',6'-dihydro-5-azaspiro[bicyclo[2.2.2]octane-2,2'-pyran]-6'-one
4',5-dimethyl-3'H-5-azaspiro[bicyclo[2.2.2]octane-2,2'-pyran]-6'-one
hmdb:HMDB30305
keggC:M_C10142
seedM:M_cpd07031 		secondary/obsolete/fantasy identifier