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CHEBI:193373 - (2-hydroxy-2-{9-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propoxy)sulfonic acid

ChEBI IDCHEBI:193373
ChEBI Name(2-hydroxy-2-{9-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propoxy)sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O10S
Net Charge0
Average Mass440.426
Monoisotopic Mass440.07772
SMILESCC(C)=CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(O)COS(=O)(=O)O
InChIInChI=1S/C19H20O10S/c1-10(2)8-14(21)29-17-15-12(6-4-11-5-7-13(20)28-16(11)15)27-18(17)19(3,22)9-26-30(23,24)25/h4-8,17-18,22H,9H2,1-3H3,(H,23,24,25)
InChIKeyLRIBKFUPUCGLFJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
(2-hydroxy-2-{9-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propoxy)sulfonic acid (CHEBI:193373) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
[8-(2-hydroxy-1-sulooxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-9-yl] 3-methylbut-2-enoate