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CHEBI:197239 - 4-Methylcatechol 1-glucuronide

ChEBI IDCHEBI:197239
ChEBI Name4-Methylcatechol 1-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O8
Net Charge0
Average Mass300.263
Monoisotopic Mass300.08452
SMILESCc1ccc(O[C@H]2O[C@@H](C(=O)O)C(O)[C@@H](O)C2O)c(O)c1
InChIInChI=1S/C13H16O8/c1-5-2-3-7(6(14)4-5)20-13-10(17)8(15)9(16)11(21-13)12(18)19/h2-4,8-11,13-17H,1H3,(H,18,19)/t8-,9?,10?,11-,13+/m1/s1
InChIKeyPLHZIQGSGAGOQO-PXSDQIBWSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
4-Methylcatechol 1-glucuronide (CHEBI:197239) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,4R,6R)-3,4,5-trihydroxy-6-(2-hydroxy-4-methylphenoxy)oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0240458HMDB
128424194ChemSpider