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CHEBI:190852 - 3,4,5-trihydroxy-6-{[8-(2-hydroxypropan-2-yl)-2-oxo-4-(prop-2-en-1-yl)-2H,8H,9H-furo[2,3-h]chromen-5-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:190852
ChEBI Name3,4,5-trihydroxy-6-{[8-(2-hydroxypropan-2-yl)-2-oxo-4-(prop-2-en-1-yl)-2H,8H,9H-furo[2,3-h]chromen-5-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O11
Net Charge0
Average Mass478.450
Monoisotopic Mass478.14751
SMILESC=CCc1cc(=O)oc2c3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)c12)OC(C(C)(C)O)C3
InChIInChI=1S/C23H26O11/c1-4-5-9-6-14(24)33-19-10-7-13(23(2,3)30)31-11(10)8-12(15(9)19)32-22-18(27)16(25)17(26)20(34-22)21(28)29/h4,6,8,13,16-18,20,22,25-27,30H,1,5,7H2,2-3H3,(H,28,29)
InChIKeyRULBBRGYIDQXEW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[8-(2-hydroxypropan-2-yl)-2-oxo-4-(prop-2-en-1-yl)-2H,8H,9H-furo[2,3-h]chromen-5-yl]oxy}oxane-2-carboxylic acid (CHEBI:190852) is a coumarins (CHEBI:23403)
3,4,5-trihydroxy-6-{[8-(2-hydroxypropan-2-yl)-2-oxo-4-(prop-2-en-1-yl)-2H,8H,9H-furo[2,3-h]chromen-5-yl]oxy}oxane-2-carboxylic acid (CHEBI:190852) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[[8-(2-hydroxypropan-2-yl)-2-oxo-4-prop-2-enyl-8,9-dihydrouro[2,3-h]chromen-5-yl]oxy]oxane-2-carboxylic acid
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