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CHEBI:169183 - 3,5-dihydroxy-4-(sulfooxy)cyclohex-1-ene-1-carboxylic acid

ChEBI IDCHEBI:169183
ChEBI Name3,5-dihydroxy-4-(sulfooxy)cyclohex-1-ene-1-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H10O8S
Net Charge0
Average Mass254.216
Monoisotopic Mass254.00964
SMILESO=C(O)C1=CC(O)C(OS(=O)(=O)O)C(O)C1
InChIInChI=1S/C7H10O8S/c8-4-1-3(7(10)11)2-5(9)6(4)15-16(12,13)14/h1,4-6,8-9H,2H2,(H,10,11)(H,12,13,14)
InChIKeyLFGSLVFHHHMIPV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3,5-dihydroxy-4-(sulfooxy)cyclohex-1-ene-1-carboxylic acid (CHEBI:169183) is a sulfuric ester (CHEBI:26819)
IUPAC Name 
3,5-dihydroxy-4-sulooxycyclohexene-1-carboxylic acid
Manual XrefsDatabases
HMDB0130163HMDB