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CHEBI:167974 - 3,4,5-trihydroxy-6-{[3-(hydroxymethyl)-1-oxo-1H-isochromen-7-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:167974
ChEBI Name3,4,5-trihydroxy-6-{[3-(hydroxymethyl)-1-oxo-1H-isochromen-7-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O10
Net Charge0
Average Mass368.294
Monoisotopic Mass368.07435
SMILESO=C(O)C1OC(Oc2ccc3cc(CO)oc(=O)c3c2)C(O)C(O)C1O
InChIInChI=1S/C16H16O10/c17-5-8-3-6-1-2-7(4-9(6)15(23)24-8)25-16-12(20)10(18)11(19)13(26-16)14(21)22/h1-4,10-13,16-20H,5H2,(H,21,22)
InChIKeyVTPPXCWEZVDYJO-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)
3,4,5-trihydroxy-6-{[3-(hydroxymethyl)-1-oxo-1H-isochromen-7-yl]oxy}oxane-2-carboxylic acid (CHEBI:167974) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[3-(hydroxymethyl)-1-oxoisochromen-7-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128633HMDB