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CHEBI:173126 - 3,4,5-trihydroxy-6-[(2-{9-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl)oxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:173126
ChEBI Name3,4,5-trihydroxy-6-[(2-{9-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl)oxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O12
Net Charge0
Average Mass520.487
Monoisotopic Mass520.15808
SMILESCC(C)=CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(C)OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C25H28O12/c1-10(2)9-14(27)35-20-15-12(7-5-11-6-8-13(26)34-19(11)15)33-22(20)25(3,4)37-24-18(30)16(28)17(29)21(36-24)23(31)32/h5-9,16-18,20-22,24,28-30H,1-4H3,(H,31,32)
InChIKeyUVISYWPYGSRGJF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-[(2-{9-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl)oxy]oxane-2-carboxylic acid (CHEBI:173126) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
3,4,5-trihydroxy-6-[2-[9-(3-methylbut-2-enoyloxy)-2-oxo-8,9-dihydrouro[2,3-h]chromen-8-yl]propan-2-yloxy]oxane-2-carboxylic acid