1.02010-04-08 22:11:54 UTC2019-11-26 03:11:46 UTCFDB015533(+)-Chebulic acidIsolated from Phyllanthus emblica (emblic). (+)-Chebulic acid is found in fruits.C14H12O11356.2385356.0379612262-(3-carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-4-yl)butanedioic acidchebulic acidOC(=O)CC(C1C(OC(=O)C2=CC(O)=C(O)C(O)=C12)C(O)=O)C(O)=OInChI=1S/C14H12O11/c15-5-1-4-7(10(19)9(5)18)8(3(12(20)21)2-6(16)17)11(13(22)23)25-14(4)24/h1,3,8,11,15,18-19H,2H2,(H,16,17)(H,20,21)(H,22,23)COZMWVAACFYLBI-UHFFFAOYSA-N belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.Tetracarboxylic acids and derivativesOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesTetracarboxylic acids and derivativesAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-benzopyransCarbonyl compoundsCarboxylic acid estersCarboxylic acidsGallic acid and derivativesHydrocarbon derivativesLactonesOrganic oxidesOxacyclic compoundsPolyols1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid2-benzopyranAromatic heteropolycyclic compoundBenzenoidBenzopyranCarbonyl groupCarboxylic acidCarboxylic acid esterGallic acid or derivativesHydrocarbon derivativeIsochromaneLactoneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePolyolTetracarboxylic acid or derivativeslogp1.62logs-1.83solubility5.32e+00 g/llogp-0.25pka_strongest_acidic2.49pka_strongest_basic-6.1iupac2-(3-carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-4-yl)butanedioic acidaverage_mass356.2385mono_mass356.037961226smilesOC(=O)CC(C1C(OC(=O)C2=CC(O)=C(O)C(O)=C12)C(O)=O)C(O)=OformulaC14H12O11inchiInChI=1S/C14H12O11/c15-5-1-4-7(10(19)9(5)18)8(3(12(20)21)2-6(16)17)11(13(22)23)25-14(4)24/h1,3,8,11,15,18-19H,2H2,(H,16,17)(H,20,21)(H,22,23)inchikeyCOZMWVAACFYLBI-UHFFFAOYSA-Npolar_surface_area198.89refractivity74.74polarizability29.96rotatable_bond_count5acceptor_count10donor_count6physiological_charge-3formal_charge0Specdb::CMs19141Specdb::CMs44932Specdb::CMs130526Specdb::CMs138260Specdb::CMs149560Specdb::CMs149562Specdb::CMs149564Specdb::CMs149566Specdb::CMs279737Specdb::MsMs9728Specdb::MsMs9729Specdb::MsMs9730Specdb::MsMs16400Specdb::MsMs16401Specdb::MsMs16402Specdb::MsMs2804031Specdb::MsMs2804032Specdb::MsMs2804033Specdb::MsMs2875397Specdb::MsMs2875398Specdb::MsMs2875399Specdb::NmrOneD136690Specdb::NmrOneD136691Specdb::NmrOneD136692Specdb::NmrOneD136693Specdb::NmrOneD136694Specdb::NmrOneD136695Specdb::NmrOneD136696Specdb::NmrOneD136697Specdb::NmrOneD136698Specdb::NmrOneD136699Specdb::NmrOneD136700Specdb::NmrOneD136701Specdb::NmrOneD136702Specdb::NmrOneD136703Specdb::NmrOneD136704Specdb::NmrOneD136705Specdb::NmrOneD136706Specdb::NmrOneD136707Specdb::NmrOneD136708Specdb::NmrOneD136709HMDB36617#<Reference:0x000055567585e280>FruitsUnknowngeneric