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CHEBI:193265 - 1-hydroxy-2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

ChEBI IDCHEBI:193265
ChEBI Name1-hydroxy-2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20O8
Net Charge0
Average Mass424.405
Monoisotopic Mass424.11582
SMILESCC(CO)(OC(=O)/C=C/c1ccc(O)cc1)C1Oc2ccc3ccc(=O)oc3c2C1O
InChIInChI=1S/C23H20O8/c1-23(12-24,31-18(27)10-4-13-2-7-15(25)8-3-13)22-20(28)19-16(29-22)9-5-14-6-11-17(26)30-21(14)19/h2-11,20,22,24-25,28H,12H2,1H3/b10-4+
InChIKeyYHTSZBFADIPXNE-ONNFQVAWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
1-hydroxy-2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate (CHEBI:193265) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
[1-hydroxy-2-(9-hydroxy-2-oxo-8,9-dihydrouro[2,3-h]chromen-8-yl)propan-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate