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CHEBI:190736 - 3,4,5-trihydroxy-6-{[3-hydroxy-2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-9-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:190736
ChEBI Name3,4,5-trihydroxy-6-{[3-hydroxy-2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-9-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O12
Net Charge0
Average Mass454.384
Monoisotopic Mass454.11113
SMILESCC(C)(O)C1Oc2c(cc3ccc(=O)oc3c2OC2OC(C(=O)O)C(O)C(O)C2O)C1O
InChIInChI=1S/C20H22O12/c1-20(2,28)17-9(22)7-5-6-3-4-8(21)29-13(6)16(14(7)30-17)32-19-12(25)10(23)11(24)15(31-19)18(26)27/h3-5,9-12,15,17,19,22-25,28H,1-2H3,(H,26,27)
InChIKeyKPJBFDHJYGCCJU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[3-hydroxy-2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-9-yl]oxy}oxane-2-carboxylic acid (CHEBI:190736) is a coumarins (CHEBI:23403)
3,4,5-trihydroxy-6-{[3-hydroxy-2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-9-yl]oxy}oxane-2-carboxylic acid (CHEBI:190736) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[[3-hydroxy-2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydrouro[3,2-g]chromen-9-yl]oxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0132924HMDB