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CHEBI:58691 - (3R,4S,5R)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-olate

ChEBI IDCHEBI:58691
ChEBI Name(3R,4S,5R)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-olate
Stars
ASCII Name(3R,4S,5R)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-olate
DefinitionConjugate base of (4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one.
Last Modified22 March 2014
DownloadsMolfile
FormulaC6H7O5
Net Charge-1
Average Mass159.117
Monoisotopic Mass159.02990
SMILESO=C1C([O-])=C[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H8O5/c7-2-1-3(8)5(10)6(11)4(2)9/h1-2,4,6-9,11H/p-1/t2-,4+,6-/m1/s1
InChIKeyYHPMNQOQULEBNK-CJPQEGFPSA-M
ChEBI Ontology
Outgoing Relation(s)
(3R,4S,5R)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-olate (CHEBI:58691) is a organic anion (CHEBI:25696)
(3R,4S,5R)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-olate (CHEBI:58691) is conjugate base of (4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one (CHEBI:4077)
Incoming Relation(s)
(4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one (CHEBI:4077) is conjugate acid of (3R,4S,5R)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-olate (CHEBI:58691)
IUPAC Name 
(3R,4S,5R)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-olate
Registry NumbersSources
Beilstein:5013309Beilstein