1.02010-04-08 22:10:02 UTC2019-11-26 03:06:23 UTCFDB0122002,3-Dihydroxybenzoic acidOccurs in Gentiana lutea (yellow gentian)
2-Pyrocatechuic acid is a normal human benzoic acid metabolite found in plasma (PMID 16351159), and is normally found with increased levels after consumption of many nutrients and drugs, i.e.: cranberry juice (PMID 14733499), aspirin ingestion. (PMID 3342084) It has been found associated with idiopathic oro-facial pain due to stress (oxidative stress might enhance the production of free radicals); it has been suggested that OH radicals are responsible for the production of many systemic and local tissue injury diseases which may initially manifest as pain syndrome, and 2-Pyrocatechuic acid is a biological marker for the detection and quantification of OH radicals, and patients had significantly increased circulating levels of 2-Pyrocatechuic acid after aspirin ingestion than control subjects. (PMID 7748148)2-Pyrocatechuate2-Pyrocatechuic acid2,3 DHB2,3-DIHYDROXY-benzoate2,3-Dihydroxy-benzoic acid2,3-Dihydroxybenzoate3-Hydroxysalicylate3-Hydroxysalicylic acidCatechol-3-carboxylateCatechol-3-carboxylic acidCatecholcarboxylateCatecholcarboxylic acidDHBADOBKo-Pyrocatechuateo-Pyrocatechuic acidPyrocatechuatePyrocatechuic acidPyrocatechuic acid, 8CIResorcylic acidC7H6O4154.121154.0266086732,3-dihydroxybenzoic acid2,3-dihydroxy-benzoic acid303-38-8OC(=O)C1=C(O)C(O)=CC=C1InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)GLDQAMYCGOIJDV-UHFFFAOYSA-N belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.Salicylic acidsOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivativesAromatic homomonocyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsBenzoic acidsBenzoyl derivativesCarboxylic acidsCatecholsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesOrganooxygen compoundsVinylogous acids1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidAromatic homomonocyclic compoundBenzoic acidBenzoylCarboxylic acidCarboxylic acid derivativeCatecholHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenolSalicylic acidVinylogous aciddihydroxybenzoic acidSolidlogp1.42logs-1.35solubility6.88e+00 g/lmelting_pointMp 204° (anhyd.)logp1.67pka_strongest_acidic2.56pka_strongest_basic-6.3iupac2,3-dihydroxybenzoic acidaverage_mass154.121mono_mass154.026608673smilesOC(=O)C1=C(O)C(O)=CC=C1formulaC7H6O4inchiInChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)inchikeyGLDQAMYCGOIJDV-UHFFFAOYSA-Npolar_surface_area77.76refractivity37.28polarizability13.71rotatable_bond_count1acceptor_count4donor_count3physiological_charge-1formal_charge0Specdb::NmrTwoD1297Specdb::MsIr472Specdb::MsIr473Specdb::MsIr474Specdb::CMs546Specdb::CMs1391Specdb::CMs5646Specdb::CMs30417Specdb::CMs31139Specdb::CMs31798Specdb::CMs37497Specdb::CMs137174Specdb::CMs144908Specdb::CMs1060433Specdb::CMs1060435Specdb::CMs1060437Specdb::CMs1060438Specdb::CMs1060440Specdb::CMs1060442Specdb::CMs1060444Specdb::CMs1060445Specdb::CMs1060447Specdb::CMs1060449Specdb::CMs1060451Specdb::CMs1060452Specdb::CMs1060454Specdb::NmrOneD143710Specdb::NmrOneD143711Specdb::NmrOneD143712Specdb::NmrOneD143713Specdb::NmrOneD143714Specdb::NmrOneD143715Specdb::NmrOneD143716Specdb::NmrOneD143717Specdb::NmrOneD143718Specdb::NmrOneD143719Specdb::NmrOneD143720Specdb::NmrOneD143721Specdb::NmrOneD143722Specdb::NmrOneD143723Specdb::NmrOneD143724Specdb::NmrOneD143725Specdb::NmrOneD143726Specdb::NmrOneD143727Specdb::NmrOneD143728Specdb::NmrOneD143729Specdb::MsMs603Specdb::MsMs604Specdb::MsMs605Specdb::MsMs240037Specdb::MsMs240038Specdb::MsMs240039Specdb::MsMs242092Specdb::MsMs242093Specdb::MsMs242094Specdb::MsMs439732Specdb::MsMs440138Specdb::MsMs449821Specdb::MsMs449822Specdb::MsMs2255333Specdb::MsMs2257188Specdb::MsMs2257381Specdb::MsMs2259225Specdb::MsMs2259355Specdb::MsMs2365120Specdb::MsMs2365121Specdb::MsMs2365122Specdb::MsMs2597929Specdb::MsMs2597930Specdb::MsMs2597931HMDB0039718026DBH#<Reference:0x00005556741e96d0>#<Reference:0x00005556741e94a0>#<Reference:0x00005556741e9220>#<Reference:0x00005556741e8ed8>#<Reference:0x00005556741e8c58>#<Reference:0x00005556741e8988>#<Reference:0x00005556741e8708>Alcoholic beveragesUnknowngenericAmerican cranberryType 1specificVaccinium macrocarpon137500.1580.3160000150.0mg/100 gAnatidaeType 1specificAnatidae8830BeefaloType 1specificBos taurus X Bison bison297284BisonType 1specificBison bison9901BroccoliType 1specificBrassica oleracea var. italica367742.60762.7952.4202mg/100 gBuffaloType 1specificBubalus bubalis89462CarrotType 1specificDaucus carota ssp. sativus792000.564150.60210.5262mg/100 gCattle (Beef, Veal)Type 1specificBos taurus9913ChickenType 1specificGallus gallus9031Columbidae (Dove, Pigeon)Type 1specificColumbidae8930CucumberType 1specificCucumis sativus36592.752453.32482.1801mg/100 gDeerType 1specificCervidae9850DillType 1specificAnethum graveolens409222.28222.51272.0517mg/100 gDomestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825EggplantType 1specificSolanum melongena41110.02870.0370.0204mg/100 gElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984Evening primroseType 1specificOenothera biennis3942Garden onionType 1specificAllium cepa46790.613450.66920.5577mg/100 gGarden tomatoType 1specificSolanum lycopersicum40810.010550.0110.0101mg/100 gGarlicType 1specificAllium sativum46820.040250.04390.0366mg/100 gGrape wineType 2specific0.08350.0834999980.083499998mg/100 gGreen bell pepperType 1specificCapsicum annuum40720.026250.03490.0176mg/100 gGreen zucchiniType 1specificCucurbita pepo var. cylindrica0.02090.02870.0131mg/100 gGreylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996Herbs and SpicesUnknowngenericHorseType 1specificEquus caballus9796Italian sweet red pepperType 1specificCapsicum annuum40720.09310.10870.0775mg/100 gJapanese pumpkinType 1specificCucurbita maxima36610.06360.0810.0462mg/100 gMallard duckType 1specificAnas platyrhynchos8839Milk (Cow)Type 2specificMountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Rock ptarmiganType 1specificLagopus muta64668Romaine lettuceType 1specificLactuca sativa L. var. longifolia1.191851.71010.6736mg/100 gRoot vegetablesUnknowngenericSheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103TurnipType 1specificBrassica rapa var. rapa513500.02810.03050.0257mg/100 gVelvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823Yellow bell pepperType 1specificCapsicum annuum40720.49590.54840.4434mg/100 gYellow wax beanType 1specificPhaseolus vulgaris38850.727850.76020.6955mg/100 g