CHEBI:199141 - Pestalotether B

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ChEBI Name Pestalotether B
ChEBI ID CHEBI:199141
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H15ClO6
Net Charge 0
Average Mass 338.740
Monoisotopic Mass 338.05572
InChI InChI=1S/C16H15ClO6/c1-8-4-9(18)6-10(5-8)23-15-11(16(20)22-3)7-12(21-2)13(17)14(15)19/h4-7,18-19H,1-3H3
InChIKey FNPOHLRKVIRQFJ-UHFFFAOYSA-N
SMILES ClC1=C(O)C(OC2=CC(O)=CC(=C2)C)=C(C(=O)OC)C=C1OC
Metabolite of Species Details
Pestalotiopsis (NCBI:txid37840) See: DOI
ChEBI Ontology
Outgoing Pestalotether B (CHEBI:199141) is a aromatic ether (CHEBI:35618)
IUPAC Name
methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate
Manual Xref Database
29214643 ChemSpider
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