CHEBI:215967 - Pestalachloride A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Pestalachloride A
ChEBI ID CHEBI:215967
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H21Cl2NO5
Net Charge 0
Average Mass 438.300
Monoisotopic Mass 437.07968
InChI InChI=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
InChIKey IFONQCDBHMGEFN-SFHVURJKSA-N
SMILES ClC1=C(OC)C(=C(O)C(=C1C)Cl)[C@H]2NC(=O)C=3C2=C(C(O)=CC3O)CC=C(C)C
Metabolite of Species Details
Pestalotiopsis adusta (NCBI:txid173179) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
23330911 ChemSpider
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