CHEBI:214278 - 4'-chloroasterric acid

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ChEBI Name 4'-chloroasterric acid
ChEBI ID CHEBI:214278
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H13ClO8
Net Charge 0
Average Mass 368.720
Monoisotopic Mass 368.02990
InChI InChI=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)
InChIKey YYTGHQVYMJKFGK-UHFFFAOYSA-N
SMILES ClC1=C(O)C(=C(OC2=C(OC)C=C(O)C=C2C(=O)O)C=C1C)C(=O)O
Metabolite of Species Details
Aspergillus flavipes (NCBI:txid41900) See: PubMed
ChEBI Ontology
Outgoing 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