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validone

PropertiesImage
MNX_IDMNXM13248 Image of MNXM13248
referencechebi:111542
formulaC7H12O5
global charge0
mol weight176.168
InChIKeyACVTTWBZLGNMCH-UMWONPOSSA-N
InChIInChI=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
SMILESO=C1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM13248
SMILES (mnx)[CH2:1]1[C@H:3]([CH2:2][OH:8])[C@@H:5]([OH:10])[C@H:7]([OH:12])[C@@H:6]([OH:11])[C:4]1=[O:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-9666
metacycM:CPD-9666
seed.compound:cpd25780
seedM:cpd25780
CHEBI:111542
chebi:111542
ACVTTWBZLGNMCH-UMWONPOSSA-N 		validone
(2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexan-1-one

kegg.compound:C21371
keggC:C21371
ACVTTWBZLGNMCH-UMWONPOSSA-N 		Validone

keggC:M_C21371
seedM:M_cpd25780 		secondary/obsolete/fantasy identifier