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CHEBI:193440 - [2-(acetyloxy)-2-(9-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl)propoxy]sulfonic acid

ChEBI IDCHEBI:193440
ChEBI Name[2-(acetyloxy)-2-(9-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl)propoxy]sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O11S
Net Charge0
Average Mass482.463
Monoisotopic Mass482.08828
SMILESC/C=C(\C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(COS(=O)(=O)O)OC(C)=O
InChIInChI=1S/C21H22O11S/c1-5-11(2)20(24)31-18-16-14(8-6-13-7-9-15(23)30-17(13)16)29-19(18)21(4,32-12(3)22)10-28-33(25,26)27/h5-9,18-19H,10H2,1-4H3,(H,25,26,27)/b11-5+
InChIKeyMQOGBNZXFDFNOI-VZUCSPMQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
[2-(acetyloxy)-2-(9-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl)propoxy]sulfonic acid (CHEBI:193440) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
[8-(2-acetyloxy-1-sulooxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-9-yl] (E)-2-methylbut-2-enoate