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CHEBI:230210 - (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(5-methyl-2-propan-2-ylphenoxy)oxane-2-carboxylic acid

ChEBI IDCHEBI:230210
ChEBI Name(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(5-methyl-2-propan-2-ylphenoxy)oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O7
Net Charge0
Average Mass326.345
Monoisotopic Mass326.13655
SMILESCc1ccc(C(C)C)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChIInChI=1S/C16H22O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h4-7,11-14,16-19H,1-3H3,(H,20,21)
InChIKeyADQJSAVCKZSGMK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(5-methyl-2-propan-2-ylphenoxy)oxane-2-carboxylic acid (CHEBI:230210) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
3,4,5-trihydroxy-6-(5-methyl-2-propan-2-ylphenoxy)oxane-2-carboxylic acid
Manual XrefsDatabases
307411ChemSpider
HMDB0255323HMDB