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CHEBI:185160 - 3,4,5-trihydroxy-6-[2-hydroxy-6-(3-oxopropyl)phenoxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:185160
ChEBI Name3,4,5-trihydroxy-6-[2-hydroxy-6-(3-oxopropyl)phenoxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O9
Net Charge0
Average Mass342.300
Monoisotopic Mass342.09508
SMILESO=CCCc1cccc(O)c1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C15H18O9/c16-6-2-4-7-3-1-5-8(17)12(7)23-15-11(20)9(18)10(19)13(24-15)14(21)22/h1,3,5-6,9-11,13,15,17-20H,2,4H2,(H,21,22)
InChIKeyHMMPRDNOKOKWJD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-[2-hydroxy-6-(3-oxopropyl)phenoxy]oxane-2-carboxylic acid (CHEBI:185160) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[2-hydroxy-6-(3-oxopropyl)phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0134063HMDB