OntologieschebiclassesCHEBI:131717   
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2-epi-valiolone
http://purl.obolibrary.org/obo/CHEBI_131717

A cyclitol that is valiolone in which the the stereochemistry at position 2 has been inverted (from R to S).

Also appears inslmgo
Exact Synonyms
(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexanone
2-epi-valiolone
class Information
charge

0

formula

C7H12O6

has_dbxref
has_obo_namespace

chebi_ontology

inchi

InChI=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+/m1/s1

inchikey

JCZFNXYQGNLHDQ-JWXFUTCRSA-N

in_subset

3_STAR

mass

192.167

monoisotopicmass

192.06339

smiles

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

class Relations