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CHEBI:132052 - (S)-demethyl-4-deoxygadusol

ChEBI IDCHEBI:132052
ChEBI Name(S)-demethyl-4-deoxygadusol
Stars
ASCII Name(S)-demethyl-4-deoxygadusol
DefinitionA member of the class of cyclohexenones that is 5-(hydroxymethyl)cyclohex-2-en-1-one carrying three additional hydroxy substituents at positions 2, 3 and 5.
Last Modified24 May 2016
SubmitterSteve
DownloadsMolfile
FormulaC7H10O5
Net Charge0
Average Mass174.152
Monoisotopic Mass174.05282
SMILESO=C1C[C@](O)(CO)CC(O)=C1O
InChIInChI=1S/C7H10O5/c8-3-7(12)1-4(9)6(11)5(10)2-7/h8-9,11-12H,1-3H2/t7-/m0/s1
InChIKeyOWHGXOODGNBQRG-ZETCQYMHSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-demethyl-4-deoxygadusol (CHEBI:132052) is a cyclohexenones (CHEBI:48953)
(S)-demethyl-4-deoxygadusol (CHEBI:132052) is a enone (CHEBI:51689)
(S)-demethyl-4-deoxygadusol (CHEBI:132052) is a tetrol (CHEBI:33573)
(S)-demethyl-4-deoxygadusol (CHEBI:132052) is conjugate acid of (S)-demethyl-4-deoxygadusol(1−) (CHEBI:131711)
Incoming Relation(s)
(S)-demethyl-4-deoxygadusol(1−) (CHEBI:131711) is conjugate base of (S)-demethyl-4-deoxygadusol (CHEBI:132052)
IUPAC Name 
(5S)-2,3,5-trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one