CHEBI:217309 - Chrysine A

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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 Chrysine A
ChEBI ID CHEBI:217309
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(21)11(18(24)27-4)16(13(7)20)28-15-9(17(22)23)5-8(25-2)6-10(15)26-3/h5-6,21H,1-4H3,(H,22,23)
InChIKey MLUAYUWFBGUTHY-UHFFFAOYSA-N
SMILES ClC1=C(OC2=C(OC)C=C(OC)C=C2C(=O)O)C(=C(O)C(=C1C)Cl)C(=O)OC
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Chrysine A (CHEBI:217309) is a aromatic ether (CHEBI:35618)
IUPAC Name
2-(2,4-dichloro-5-hydroxy-6-methoxycarbonyl-3-methylphenoxy)-3,5-dimethoxybenzoic acid
Manual Xref Database
65790991 ChemSpider
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