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CHEBI:204016 - Pestheic acid

ChEBI IDCHEBI:204016
ChEBI NamePestheic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H15ClO8
Net Charge0
Average Mass394.763
Monoisotopic Mass394.04555
SMILESCOC(=O)c1cc(OC)c(Cl)c(O)c1C(=O)c1cc(C)cc(O)c1C(=O)O
InChIInChI=1S/C18H15ClO8/c1-7-4-8(12(17(23)24)10(20)5-7)15(21)13-9(18(25)27-3)6-11(26-2)14(19)16(13)22/h4-6,20,22H,1-3H3,(H,23,24)
InChIKeyRSEIHGFYUUTBRH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudopestalotiopsis theae (ncbitaxon:218556) - DOI (10.1515/znb-2001-0813)
ChEBI Ontology
Outgoing Relation(s)
Pestheic acid (CHEBI:204016) is a benzophenones (CHEBI:22726)
IUPAC Name 
2-(3-chloro-2-hydroxy-4-methoxy-6-methoxycarbonylbenzoyl)-6-hydroxy-4-methylbenzoic acid
Manual XrefsDatabases
78434781ChemSpider