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CHEBI:180698 - [2-hydroxy-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:180698
ChEBI Name[2-hydroxy-2-(9-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl)propoxy]sulfonic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O10S
Net Charge0
Average Mass440.426
Monoisotopic Mass440.07772
SMILESC/C=C(\C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(O)COS(=O)(=O)O
InChIInChI=1S/C19H20O10S/c1-4-10(2)18(21)29-16-14-12(7-5-11-6-8-13(20)28-15(11)14)27-17(16)19(3,22)9-26-30(23,24)25/h4-8,16-17,22H,9H2,1-3H3,(H,23,24,25)/b10-4+
InChIKeyZSVSRWIBCMYYGS-ONNFQVAWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
[2-hydroxy-2-(9-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl)propoxy]sulfonic acid (CHEBI:180698) 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] (E)-2-methylbut-2-enoate
Manual XrefsDatabases
HMDB0129114HMDB