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CHEBI:192861 - 2-o-methyl-gluconic acid

ChEBI IDCHEBI:192861
ChEBI Name2-o-methyl-gluconic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H12O7
Net Charge0
Average Mass208.166
Monoisotopic Mass208.05830
SMILESCO[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O
InChIInChI=1S/C7H12O7/c1-14-3(2-8)4(9)5(10)6(11)7(12)13/h2-6,9-11H,1H3,(H,12,13)/t3-,4+,5-,6-/m0/s1
InChIKeyHCQISUFWFYMWKK-FSIIMWSLSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
2-o-methyl-gluconic acid (CHEBI:192861) is a carbohydrate acid derivative (CHEBI:63436)
IUPAC Name 
(2S,3S,4S,5R)-2,3,4-trihydroxy-5-methoxy-6-oxohexanoic acid
Manual XrefsDatabases
166327ChemSpider
Registry NumbersSources
CAS:59894-02-9ChemIDplus