{"Abbreviation":"DOPAL","Aliases":["Protocatechuatealdehyde","Benzeneacetaldehyde, 3,4-dihydroxy-","2-(3,4-dihydroxyphenyl)ethanal","(3,4-dihydroxyphenyl)acetaldehyde","DHPAA aldehyde","Dopal","GTPL6632","3,4-Dihydroxybenzeneacetaldehyde","3,4-dihydroxy-Benzeneacetaldehyde","HY-121252A"],"CAS":"5707-55-1","ChEBI":"CHEBI:27978","ChemicalClasses":["phenol"],"Chirality":"achiral","Classes":["Neurotoxin"],"Dosing Info":[],"DrugClasses":[],"European Community (EC) Number":"809-292-1","HMDB ID":"HMDB0003791","HeavyAtomCount":11,"IUPACName":"2-(3,4-dihydroxyphenyl)acetaldehyde","InChI":"InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2","InChIKey":"IADQVXRMSNIUEL-UHFFFAOYSA-N","MolecularFormula":"C\u003csub\u003e8\u003c/sub\u003eH\u003csub\u003e8\u003c/sub\u003eO\u003csub\u003e3\u003c/sub\u003e","MolecularWeight":"152.15 g/mol","Physical Description":"Solid","PrevSalts":[],"PubChemId":119219,"Record Description":["3,4-dihydroxyphenylacetaldehyde is a phenylacetaldehyde in which the 3 and 4 positions of the phenyl group are substituted by hydroxy groups. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a member of catechols, an alpha-CH2-containing aldehyde and a member of phenylacetaldehydes.","3,4-Dihydroxyphenylacetaldehyde is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).","3,4-Dihydroxyphenylacetaldehyde has been reported in Homo sapiens and Trypanosoma brucei with data available.","3,4-dihydroxyphenylacetaldehyde is a phenylacetaldehyde in which the 3 and 4 positions of the phenyl group are substituted by hydroxy groups. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a member of catechols, an alpha-CH2-containing aldehyde and a member of phenylacetaldehydes."],"References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/3,4-Dihydroxyphenylacetaldehyde","Name":"3,4-Dihydroxyphenylacetaldehyde","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q4634065","Name":"3,4-Dihydroxyphenylacetaldehyde","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/119219","Name":"3,4-Dihydroxyphenylacetaldehyde","Sub":false}]},{"Name":"ChEBI","Urls":[{"Link":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27978","Name":"3,4-Dihydroxyphenylacetaldehyde","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=5707-55-1","Name":"3,4-Dihydroxyphenylacetaldehyde","Sub":false}]},{"Name":"HMDB","Urls":[{"Link":"https://hmdb.ca/metabolites/HMDB0003791","Name":"3,4-Dihydroxyphenylacetaldehyde","Sub":false}]},{"Name":"KEGG","Urls":[{"Link":"https://www.kegg.jp/entry/C04043","Name":"3,4-Dihydroxyphenylacetaldehyde","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/F2E9Q24TSL","Name":"3,4-Dihydroxyphenylacetaldehyde","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID10205680","Name":"3,4-Dihydroxyphenylacetaldehyde","Sub":false}]}],"SMILES":"C1=CC(=C(C=C1CC=O)O)O","StoreUNII":["F2E9Q24TSL"],"StructureBase64":"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