CHEBI:207473 - methyl chloroasterrate

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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 chloroasterrate
ChEBI ID CHEBI:207473
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/c1-8-5-11(13(18(23)26-4)15(21)14(8)19)27-16-10(17(22)25-3)6-9(20)7-12(16)24-2/h5-7,20-21H,1-4H3
InChIKey XSBBWBWHNNKSSM-UHFFFAOYSA-N
SMILES ClC1=C(O)C(=C(OC2=C(OC)C=C(O)C=C2C(=O)OC)C=C1C)C(=O)OC
Metabolite of Species Details
Aspergillusspecies (NCBI:txid5065) See: PubMed
ChEBI Ontology
Outgoing methyl chloroasterrate (CHEBI:207473) is a aromatic ether (CHEBI:35618)
IUPAC Name
methyl 3-chloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
Manual Xref Database
8651298 ChemSpider
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