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CHEBI:193363 - (8-{2-[(3-methylbut-2-enoyl)oxy]propan-2-yl}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl)oxidanesulfonic acid

ChEBI IDCHEBI:193363
ChEBI Name(8-{2-[(3-methylbut-2-enoyl)oxy]propan-2-yl}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl)oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O9S
Net Charge0
Average Mass424.427
Monoisotopic Mass424.08280
SMILESCC(C)=CC(=O)OC(C)(C)C1Oc2ccc3ccc(=O)oc3c2C1OS(=O)(=O)O
InChIInChI=1S/C19H20O9S/c1-10(2)9-14(21)27-19(3,4)18-17(28-29(22,23)24)15-12(25-18)7-5-11-6-8-13(20)26-16(11)15/h5-9,17-18H,1-4H3,(H,22,23,24)
InChIKeyGZWWMLVVRIKOCB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
(8-{2-[(3-methylbut-2-enoyl)oxy]propan-2-yl}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl)oxidanesulfonic acid (CHEBI:193363) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
2-(2-oxo-9-sulooxy-8,9-dihydrouro[2,3-h]chromen-8-yl)propan-2-yl 3-methylbut-2-enoate
Manual XrefsDatabases
74852381ChemSpider