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validone

Properties

Image

Occurences in reactions

MNX_ID

MNXM13248

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₇H₁₂O₅

charge

mass

176.06847

reference

InChIKey

ACVTTWBZLGNMCH-UMWONPOSSA-N

InChI

InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h3,5-8,10-12H,1-2H2/t3-,5-,6+,7+/m1/s1

SMILES

O=C1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-9666 metacycM:CPD-9666 seed.compound:cpd25780 seedM:cpd25780 CHEBI:111542 chebi:111542	validone (2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexan-1-one
kegg.compound:C21371 keggC:C21371	Validone
keggC:M_C21371 seedM:M_cpd25780	secondary/obsolete/fantasy identifier