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CHEBI:181029 - [3-Hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate

ChEBI IDCHEBI:181029
ChEBI Name[3-Hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O8
Net Charge0
Average Mass416.426
Monoisotopic Mass416.14712
SMILESC/C=C(\C)C(=O)OC(COc1c2occc2c(OC)c2ccc(=O)oc12)C(C)(C)O
InChIInChI=1S/C22H24O8/c1-6-12(2)21(24)29-15(22(3,4)25)11-28-20-18-14(9-10-27-18)17(26-5)13-7-8-16(23)30-19(13)20/h6-10,15,25H,11H2,1-5H3/b12-6+
InChIKeyQUSMURJIBTWAOP-WUXMJOGZSA-N
ChEBI Ontology
Outgoing Relation(s)
[3-Hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate (CHEBI:181029) is a psoralens (CHEBI:26369)
IUPAC Name 
[3-hydroxy-1-(4-methoxy-7-oxouro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate
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29813993ChemSpider