CHEBI:193019 - alpha-guaiaconic acid

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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 alpha-guaiaconic acid
ChEBI ID CHEBI:193019
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H20O5
Net Charge 0
Average Mass 340.375
Monoisotopic Mass 340.13107
InChI InChI=1S/C20H20O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-10,21-22H,1-4H3
InChIKey OIXPKFRMEUTHOG-UHFFFAOYSA-N
SMILES O1C(=C(C(=C1C2=CC(OC)=C(O)C=C2)C)C)C3=CC(OC)=C(O)C=C3
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in cecum (BTO:0000166). of strain Sprague Dawley [EFO:0001352] See: MetaboLights Study
ChEBI Ontology
Outgoing alpha-guaiaconic acid (CHEBI:193019) is a furans (CHEBI:24129)
IUPAC Name
4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyluran-2-yl]-2-methoxyphenol
Manual Xref Database
145298 ChemSpider
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Registry Number Type Source
10035-27-5 CAS Registry Number ChemIDplus