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CHEBI:190854 - 3,4,5-trihydroxy-6-(2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}-2-[(3-methylbut-2-enoyl)oxy]propoxy)oxane-2-carboxylic acid

ChEBI IDCHEBI:190854
ChEBI Name3,4,5-trihydroxy-6-(2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}-2-[(3-methylbut-2-enoyl)oxy]propoxy)oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O13
Net Charge0
Average Mass536.486
Monoisotopic Mass536.15299
SMILESCC(C)=CC(=O)OC(C)(COC1OC(C(=O)O)C(O)C(O)C1O)C1Oc2ccc3ccc(=O)oc3c2C1O
InChIInChI=1S/C25H28O13/c1-10(2)8-14(27)38-25(3,9-34-24-19(31)17(29)18(30)21(37-24)23(32)33)22-16(28)15-12(35-22)6-4-11-5-7-13(26)36-20(11)15/h4-8,16-19,21-22,24,28-31H,9H2,1-3H3,(H,32,33)
InChIKeyDZQHSBUWZPBQHN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-(2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}-2-[(3-methylbut-2-enoyl)oxy]propoxy)oxane-2-carboxylic acid (CHEBI:190854) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
3,4,5-trihydroxy-6-[2-(9-hydroxy-2-oxo-8,9-dihydrouro[2,3-h]chromen-8-yl)-2-(3-methylbut-2-enoyloxy)propoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128933HMDB