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CHEBI:175620 - Edulisin IV

ChEBI IDCHEBI:175620
ChEBI NameEdulisin IV
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SubmitterMetaboLights
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FormulaC19H20O7
Net Charge0
Average Mass360.362
Monoisotopic Mass360.12090
SMILES[H][C@]1(C(C)(C)OC(C)=O)Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)CC
InChIInChI=1S/C19H20O7/c1-5-13(21)24-17-15-12(23-18(17)19(3,4)26-10(2)20)8-6-11-7-9-14(22)25-16(11)15/h6-9,17-18H,5H2,1-4H3/t17-,18+/m1/s1
InChIKeyYPBNKPNGOBYSJH-MSOLQXFVSA-N
ChEBI Ontology
Outgoing Relation(s)
Edulisin IV (CHEBI:175620) 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] propanoate
Manual XrefsDatabases
103882475ChemSpider