CHEBI:211488 - methyl dichloroasterrate

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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 methyl dichloroasterrate
ChEBI ID CHEBI:211488
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H16Cl2O8
Net Charge 0
Average Mass 431.220
Monoisotopic Mass 430.02222
InChI InChI=1S/C18H16Cl2O8/c1-7-12(19)14(22)11(18(24)27-4)16(13(7)20)28-15-9(17(23)26-3)5-8(21)6-10(15)25-2/h5-6,21-22H,1-4H3
InChIKey UWTOESDPWKUNBD-UHFFFAOYSA-N
SMILES ClC1=C(OC2=C(OC)C=C(O)C=C2C(=O)OC)C(=C(O)C(=C1C)Cl)C(=O)OC
Metabolite of Species Details
Aspergillusspecies (NCBI:txid5065) See: PubMed
ChEBI Ontology
Outgoing methyl dichloroasterrate (CHEBI:211488) is a aromatic ether (CHEBI:35618)
IUPAC Name
methyl 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
Manual Xref Database
553035 ChemSpider
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