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CHEBI:29704 - valiolone

ChEBI IDCHEBI:29704
ChEBI Namevaliolone
Stars
DefinitionA cyclitol that is cyclohexanone which is substituted by hydroxy groups at positions 2, 3, 4, and 5, and by a hydroxymethyl group at position 5 (the 2R,3S,4S,5S stereoisomer).
Last Modified14 April 2016
DownloadsMolfile
FormulaC7H12O6
Net Charge0
Average Mass192.167
Monoisotopic Mass192.06339
SMILESO=C1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H12O6/c8-2-7(13)1-3(9)4(10)5(11)6(7)12/h4-6,8,10-13H,1-2H2/t4-,5+,6-,7-/m0/s1
InChIKeyJCZFNXYQGNLHDQ-VZFHVOOUSA-N
ChEBI Ontology
Outgoing Relation(s)
valiolone (CHEBI:29704) is a alicyclic ketone (CHEBI:36132)
valiolone (CHEBI:29704) is a cyclitol (CHEBI:23451)
valiolone (CHEBI:29704) is a tertiary alcohol (CHEBI:26878)
Incoming Relation(s)
valienone (CHEBI:111521) has functional parent valiolone (CHEBI:29704)
IUPAC Name 
(2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexanone
Manual XrefsDatabases
C12113KEGG COMPOUND
Registry NumbersSources
Reaxys:8148046Reaxys