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CHEBI:86615 - Erone diacetate

ChEBI IDCHEBI:86615
ChEBI NameErone diacetate
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FormulaC21H22O8
Net Charge0
Average Mass402.399
Monoisotopic Mass402.13147
SMILESCOc1cc(C(=O)C(COC(C)=O)Oc2ccccc2OC)ccc1OC(C)=O
InChIInChI=1S/C21H22O8/c1-13(22)27-12-20(29-17-8-6-5-7-16(17)25-3)21(24)15-9-10-18(28-14(2)23)19(11-15)26-4/h5-11,20H,12H2,1-4H3
InChIKeyHMLKFLPGXAYCDR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Erone diacetate (CHEBI:86615) is a aromatic ketone (CHEBI:76224)