Exact Mass: 1068.1291356

Exact Mass Matches: 1068.1291356

Found 36 metabolites which its exact mass value is equals to given mass value 1068.1291356, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Pterocarinin A

10-[2,3,4,7,8,9-hexahydroxy-12,17-dioxo-19-(2,3,4,5-tetrahydroxyoxan-2-yl)-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1,3,5(18),6(11),7,9-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2(7),3,5,16,18-hexaen-11-yl 3,4,5-trihydroxybenzoate

C46H36O30 (1068.1291356)

Pterocarinin a is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Pterocarinin a is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Pterocarinin a can be found in cloves, which makes pterocarinin a a potential biomarker for the consumption of this food product.

(11s,12r)-12-[(14r,15r,19r)-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-19-[(2r,3r,4r,5s)-2,3,4,5-tetrahydroxyoxan-2-yl]-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-11-yl 3,4,5-trihydroxybenzoate

(11s,12r)-12-[(14r,15r,19r)-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-19-[(2r,3r,4r,5s)-2,3,4,5-tetrahydroxyoxan-2-yl]-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-11-yl 3,4,5-trihydroxybenzoate

C46H36O30 (1068.1291356)

7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,40-hexadecahydroxy-46-(2,3,4,5-tetrahydroxypentanoyl)-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1³⁸,⁴².0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁴⁵.0³⁴,³⁹]hexatetraconta-5,7,9,11(16),12,14,23,25,27,29,31,33(45),34(39),35,37-pentadecaene-4,17,22,44-tetrone

7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,40-hexadecahydroxy-46-(2,3,4,5-tetrahydroxypentanoyl)-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1³⁸,⁴².0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁴⁵.0³⁴,³⁹]hexatetraconta-5,7,9,11(16),12,14,23,25,27,29,31,33(45),34(39),35,37-pentadecaene-4,17,22,44-tetrone

C46H36O30 (1068.1291356)

(10r,11s)-10-[(14r,15r,19r)-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-19-[(2r,3s,4s)-2,3,4,5-tetrahydroxypentanoyl]-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6,8,10-hexaen-14-yl]-3,4,5,16,17,18-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.3.1.0²,⁷]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-11-yl 3,4,5-trihydroxybenzoate

(10r,11s)-10-[(14r,15r,19r)-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-19-[(2r,3s,4s)-2,3,4,5-tetrahydroxypentanoyl]-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6,8,10-hexaen-14-yl]-3,4,5,16,17,18-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.3.1.0²,⁷]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-11-yl 3,4,5-trihydroxybenzoate

C46H36O30 (1068.1291356)

(1r,2r,20r,40s,42s,46r)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,40-hexadecahydroxy-46-[(2r,3r,4s)-2,3,4,5-tetrahydroxypentanoyl]-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1³⁸,⁴².0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁴⁵.0³⁴,³⁹]hexatetraconta-5,7,9,11(16),12,14,23,25,27,29,31,33(45),34(39),35,37-pentadecaene-4,17,22,44-tetrone

(1r,2r,20r,40s,42s,46r)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,40-hexadecahydroxy-46-[(2r,3r,4s)-2,3,4,5-tetrahydroxypentanoyl]-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1³⁸,⁴².0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁴⁵.0³⁴,³⁹]hexatetraconta-5,7,9,11(16),12,14,23,25,27,29,31,33(45),34(39),35,37-pentadecaene-4,17,22,44-tetrone

C46H36O30 (1068.1291356)

12-[2,3,4,7,8,9-hexahydroxy-12,17-dioxo-19-(2,3,4,5-tetrahydroxyoxan-2-yl)-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-11-yl 3,4,5-trihydroxybenzoate

12-[2,3,4,7,8,9-hexahydroxy-12,17-dioxo-19-(2,3,4,5-tetrahydroxyoxan-2-yl)-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-11-yl 3,4,5-trihydroxybenzoate

C46H36O30 (1068.1291356)

(11r,12r)-12-[(14r,15s,19s)-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-19-[(2s,3s,4s,5r)-2,3,4,5-tetrahydroxyoxan-2-yl]-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-11-yl 3,4,5-trihydroxybenzoate

(11r,12r)-12-[(14r,15s,19s)-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-19-[(2s,3s,4s,5r)-2,3,4,5-tetrahydroxyoxan-2-yl]-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-11-yl 3,4,5-trihydroxybenzoate

C46H36O30 (1068.1291356)

(11s,12r)-12-[(14r,15s,19s)-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-19-[(2s,3r,4r,5s)-2,3,4,5-tetrahydroxyoxan-2-yl]-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-11-yl 3,4,5-trihydroxybenzoate

(11s,12r)-12-[(14r,15s,19s)-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-19-[(2s,3r,4r,5s)-2,3,4,5-tetrahydroxyoxan-2-yl]-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-11-yl 3,4,5-trihydroxybenzoate

C46H36O30 (1068.1291356)