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CHEBI:175938 - Edulisin III

ChEBI IDCHEBI:175938
ChEBI NameEdulisin III
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SubmitterMetaboLights
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FormulaC21H24O7
Net Charge0
Average Mass388.416
Monoisotopic Mass388.15220
SMILESCCC(C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(C)OC(C)=O
InChIInChI=1S/C21H24O7/c1-6-11(2)20(24)27-18-16-14(25-19(18)21(4,5)28-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3
InChIKeyUBLBUWKMSDCDLT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Edulisin III (CHEBI:175938) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
[8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-9-yl] 2-methylbutanoate
Manual XrefsDatabases
35015124ChemSpider
HMDB0041197HMDB