1.02010-04-08 22:07:00 UTC2019-11-26 03:00:58 UTCFDB006133(-)-Mintlactone(-)-mintlactone is a member of the class of compounds known as benzenesulfonyl compounds. Benzenesulfonyl compounds are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group (-)-mintlactone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (-)-mintlactone can be found in peppermint, which makes (-)-mintlactone a potential biomarker for the consumption of this food product. C14H10O6S306.291306.0198087425-(3-formyl-4-hydroxybenzenesulfonyl)-2-hydroxybenzaldehyde5-(3-formyl-4-hydroxybenzenesulfonyl)-2-hydroxybenzaldehydeOC1=C(C=O)C=C(C=C1)S(=O)(=O)C1=CC(C=O)=C(O)C=C1InChI=1S/C14H10O6S/c15-7-9-5-11(1-3-13(9)17)21(19,20)12-2-4-14(18)10(6-12)8-16/h1-8,17-18HNRBDZRMCFXNSFF-UHFFFAOYSA-N belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.Benzenesulfonyl compoundsOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzenesulfonyl compoundsAromatic homomonocyclic compounds1-hydroxy-2-unsubstituted benzenoidsBenzoyl derivativesHydrocarbon derivativesHydroxybenzaldehydesOrganic oxidesSulfonesVinylogous acids1-hydroxy-2-unsubstituted benzenoidAldehydeAromatic homomonocyclic compoundAryl-aldehydeBenzaldehydeBenzenesulfonyl groupBenzoylHydrocarbon derivativeHydroxybenzaldehydeOrganic oxideOrganic oxygen compoundOrganooxygen compoundOrganosulfur compoundPhenolSulfoneSulfonylVinylogous acidlogp2.03logs-3.11solubility2.38e-01 g/llogp3.05pka_strongest_acidic5.95pka_strongest_basic-7iupac5-(3-formyl-4-hydroxybenzenesulfonyl)-2-hydroxybenzaldehydeaverage_mass306.291mono_mass306.019808742smilesOC1=C(C=O)C=C(C=C1)S(=O)(=O)C1=CC(C=O)=C(O)C=C1formulaC14H10O6SinchiInChI=1S/C14H10O6S/c15-7-9-5-11(1-3-13(9)17)21(19,20)12-2-4-14(18)10(6-12)8-16/h1-8,17-18HinchikeyNRBDZRMCFXNSFF-UHFFFAOYSA-Npolar_surface_area108.74refractivity76.72polarizability28.22rotatable_bond_count4acceptor_count6donor_count2physiological_charge-2formal_charge0Specdb::MsMs65556Specdb::MsMs65557Specdb::MsMs65558Specdb::MsMs122973Specdb::MsMs122974Specdb::MsMs122975Specdb::MsMs3602537Specdb::MsMs3602538Specdb::MsMs3602539Specdb::MsMs3602540Specdb::MsMs3602541Specdb::MsMs3602542PeppermintType 1specificMentha X piperita342560.1650.1650.165mg/100 g