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CHEBI:175917 - Edultin

ChEBI IDCHEBI:175917
ChEBI NameEdultin
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FormulaC21H22O7
Net Charge0
Average Mass386.400
Monoisotopic Mass386.13655
SMILES[H][C@]1(C(C)(C)OC(C)=O)Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)/C(C)=C\C
InChIInChI=1S/C21H22O7/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/h6-10,18-19H,1-5H3/b11-6-/t18-,19+/m1/s1
InChIKeyFFCDTHIJWHJUQJ-JZWAJAMXSA-N
ChEBI Ontology
Outgoing Relation(s)
Edultin (CHEBI:175917) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
[(8S,9R)-8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
Manual XrefsDatabases
4475949ChemSpider