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CHEBI:193248 - 2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

ChEBI IDCHEBI:193248
ChEBI Name2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20O8
Net Charge0
Average Mass424.405
Monoisotopic Mass424.11582
SMILESCC(C)(OC(=O)/C=C/c1ccc(O)c(O)c1)C1Oc2ccc3ccc(=O)oc3c2C1O
InChIInChI=1S/C23H20O8/c1-23(2,31-18(27)9-4-12-3-7-14(24)15(25)11-12)22-20(28)19-16(29-22)8-5-13-6-10-17(26)30-21(13)19/h3-11,20,22,24-25,28H,1-2H3/b9-4+
InChIKeyCETQVGNRBKIDHQ-RUDMXATFSA-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}propan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CHEBI:193248) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
2-(9-hydroxy-2-oxo-8,9-dihydrouro[2,3-h]chromen-8-yl)propan-2-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
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74852386ChemSpider