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CHEBI:193287 - (2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}-2-[(3-methylbut-2-enoyl)oxy]propoxy)sulfonic acid

ChEBI IDCHEBI:193287
ChEBI Name(2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}-2-[(3-methylbut-2-enoyl)oxy]propoxy)sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O10S
Net Charge0
Average Mass440.426
Monoisotopic Mass440.07772
SMILESCC(C)=CC(=O)OC(C)(COS(=O)(=O)O)C1Oc2ccc3ccc(=O)oc3c2C1O
InChIInChI=1S/C19H20O10S/c1-10(2)8-14(21)29-19(3,9-26-30(23,24)25)18-16(22)15-12(27-18)6-4-11-5-7-13(20)28-17(11)15/h4-8,16,18,22H,9H2,1-3H3,(H,23,24,25)
InChIKeyPWNXKSONMCJPGP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
(2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}-2-[(3-methylbut-2-enoyl)oxy]propoxy)sulfonic acid (CHEBI:193287) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
[2-(9-hydroxy-2-oxo-8,9-dihydrouro[2,3-h]chromen-8-yl)-1-sulooxypropan-2-yl] 3-methylbut-2-enoate