CHEBI:209328 - 2-(ethoxycarbonyl)-4'-carboxydiorcinal

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 2-(ethoxycarbonyl)-4'-carboxydiorcinal
ChEBI ID CHEBI:209328
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H18O7
Net Charge 0
Average Mass 346.335
Monoisotopic Mass 346.10525
InChI InChI=1S/C18H18O7/c1-4-24-18(23)16-9(2)5-11(19)7-14(16)25-12-6-10(3)15(17(21)22)13(20)8-12/h5-8,19-20H,4H2,1-3H3,(H,21,22)
InChIKey QSQIDFSXTRSGJA-UHFFFAOYSA-N
SMILES O=C(OCC)C1=C(OC2=CC(O)=C(C(=O)O)C(=C2)C)C=C(O)C=C1C
Metabolite of Species Details
Aspergillus sydowii (NCBI:txid75750) See: PubMed
ChEBI Ontology
Outgoing 2-(ethoxycarbonyl)-4'-carboxydiorcinal (CHEBI:209328) is a aromatic ether (CHEBI:35618)
IUPAC Name
4-(2-ethoxycarbonyl-5-hydroxy-3-methylphenoxy)-2-hydroxy-6-methylbenzoic acid
Manual Xref Database
71048759 ChemSpider
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