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CHEBI:215967 - Pestalachloride A

ChEBI IDCHEBI:215967
ChEBI NamePestalachloride A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21Cl2NO5
Net Charge0
Average Mass438.307
Monoisotopic Mass437.07968
SMILESCOc1c(Cl)c(C)c(Cl)c(O)c1[C@H]1NC(=O)c2c(O)cc(O)c(CC=C(C)C)c21
InChIInChI=1S/C21H21Cl2NO5/c1-8(2)5-6-10-11(25)7-12(26)14-13(10)18(24-21(14)28)15-19(27)16(22)9(3)17(23)20(15)29-4/h5,7,18,25-27H,6H2,1-4H3,(H,24,28)/t18-/m0/s1
InChIKeyIFONQCDBHMGEFN-SFHVURJKSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis adusta (ncbitaxon:173179) - PubMed (18694644)
ChEBI Ontology
Outgoing Relation(s)
Pestalachloride A (CHEBI:215967) is a isoindoles (CHEBI:24897)
IUPAC Name 
3-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-5,7-dihydroxy-4-(3-methylbut-2-enyl)-2,3-dihydroisoindol-1-one
Manual XrefsDatabases
23330911ChemSpider