CHEBI:210400 - Pestalotether A

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ChEBI Name Pestalotether A
ChEBI ID CHEBI:210400
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H17ClO8
Net Charge 0
Average Mass 396.780
Monoisotopic Mass 396.06120
InChI InChI=1S/C18H17ClO8/c1-8-5-10(20)13(18(23)26-4)11(6-8)27-16-9(17(22)25-3)7-12(24-2)14(19)15(16)21/h5-7,20-21H,1-4H3
InChIKey UNYKCSQBZSEKRS-UHFFFAOYSA-N
SMILES ClC1=C(O)C(OC2=C(C(O)=CC(=C2)C)C(=O)OC)=C(C(=O)OC)C=C1OC
Metabolite of Species Details
Pestalotiopsis (NCBI:txid37840) See: DOI
ChEBI Ontology
Outgoing Pestalotether A (CHEBI:210400) is a aromatic ether (CHEBI:35618)
IUPAC Name
methyl 4-chloro-3-hydroxy-2-(3-hydroxy-2-methoxycarbonyl-5-methylphenoxy)-5-methoxybenzoate
Manual Xref Database
28289711 ChemSpider
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