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CHEBI:214278 - 4'-chloroasterric acid

ChEBI IDCHEBI:214278
ChEBI Name4'-chloroasterric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H13ClO8
Net Charge0
Average Mass368.725
Monoisotopic Mass368.02990
SMILESCOc1cc(O)cc(C(=O)O)c1Oc1cc(C)c(Cl)c(O)c1C(=O)O
InChIInChI=1S/C16H13ClO8/c1-6-3-9(11(16(22)23)13(19)12(6)17)25-14-8(15(20)21)4-7(18)5-10(14)24-2/h3-5,18-19H,1-2H3,(H,20,21)(H,22,23)
InChIKeyYYTGHQVYMJKFGK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavipes (ncbitaxon:41900) - PubMed (31805214)
ChEBI Ontology
Outgoing Relation(s)
4'-chloroasterric acid (CHEBI:214278) is a aromatic ether (CHEBI:35618)
IUPAC Name 
6-(2-carboxy-4-hydroxy-6-methoxyphenoxy)-3-chloro-2-hydroxy-4-methylbenzoic acid