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CHEBI:198610 - Agaricic ester

ChEBI IDCHEBI:198610
ChEBI NameAgaricic ester
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SubmitterMetaboLights
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FormulaC15H10Cl4O4
Net Charge0
Average Mass396.053
Monoisotopic Mass393.93332
SMILESCOc1c(Cl)cc(COC(=O)c2cc(Cl)c(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H10Cl4O4/c1-22-14-11(18)2-7(3-12(14)19)6-23-15(21)8-4-9(16)13(20)10(17)5-8/h2-5,20H,6H2,1H3
InChIKeyLZEHJKLMTNHEFW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Agaricus macrosporus (ncbitaxon:182817) - PubMed (16506695)
ChEBI Ontology
Outgoing Relation(s)
Agaricic ester (CHEBI:198610) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
(3,5-dichloro-4-methoxyphenyl)methyl 3,5-dichloro-4-hydroxybenzoate
Manual XrefsDatabases
78434618ChemSpider