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CHEBI:172445 - 3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one

ChEBI IDCHEBI:172445
ChEBI Name3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one
Stars
Last Modified4 January 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H12O6
Net Charge0
Average Mass204.178
Monoisotopic Mass204.06339
SMILESCOC1=C(O)C(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
InChIKeyKENOUOLPKKQXMX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one (CHEBI:172445) is a cyclohexenones (CHEBI:48953)
Incoming Relation(s)
gadusol (CHEBI:228373) is a 3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one (CHEBI:172445)
IUPAC Name 
3,4,5-trihydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one
Manual XrefsDatabases
169841ChemSpider
FDB020901FooDB
HMDB0041031HMDB
Registry NumbersSources
CAS:76663-30-4ChEBI
Citations