CHEBI:227979 - Pestalotether E

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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 Pestalotether E
ChEBI ID CHEBI:227979
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H18O8
Net Charge 0
Average Mass 362.334
Monoisotopic Mass 362.10017
InChI InChI=1S/C18H18O8/c1-9-5-12(19)15(18(22)25-4)13(6-9)26-14-8-10(23-2)7-11(16(14)20)17(21)24-3/h5-8,19-20H,1-4H3
InChIKey QJYQMNNRRRKXNK-UHFFFAOYSA-N
SMILES O=C(OC)C1=C(OC2=C(O)C(C(=O)OC)=CC(=C2)OC)C=C(C)C=C1O
Metabolite of Species Details
Pestalotiopsisspecies (NCBI:txid36460) See: DOI
ChEBI Ontology
Outgoing Pestalotether E (CHEBI:227979) is a aromatic ether (CHEBI:35618)
IUPAC Name
methyl 2-hydroxy-6-(2-hydroxy-5-methoxy-3-methoxycarbonylphenoxy)-4-methylbenzoate