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CHEBI:228373 - gadusol

ChEBI IDCHEBI:228373
ChEBI Namegadusol
Stars
Last Modified4 January 2024
SubmitterAdnan
DownloadsMolfile
FormulaC8H12O6
Net Charge0
Average Mass204.178
Monoisotopic Mass204.06339
SMILESCOC1=C(O)[C@H](O)[C@](O)(CO)CC1=O
InChIInChI=1S/C8H12O6/c1-14-6-4(10)2-8(13,3-9)7(12)5(6)11/h7,9,11-13H,2-3H2,1H3/t7-,8+/m0/s1
InChIKeyKENOUOLPKKQXMX-JGVFFNPUSA-N
ChEBI Ontology
Outgoing Relation(s)
gadusol (CHEBI:228373) is a 3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one (CHEBI:172445)
gadusol (CHEBI:228373) is conjugate acid of gadusol(1−) (CHEBI:228248)
Incoming Relation(s)
gadusol(1−) (CHEBI:228248) is conjugate base of gadusol (CHEBI:228373)
IUPAC Name 
(4R,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one
Manual XrefsDatabases
CPD-18772MetaCyc