Exact Mass: 2352.2277612
Exact Mass Matches: 2352.2277612
Found 6 metabolites which its exact mass value is equals to given mass value 2352.2277612,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Oenothein A
3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(19),2,4,6,20,22-hexaen-12-yl 2-{[4,5,6,19,20,21,29,30,31,37,46,47,50,51,58,59,63-heptadecahydroxy-8,16,34,42,54,60-hexaoxo-11,57-bis(3,4,5-trihydroxybenzoyloxy)-2,9,12,15,27,35,38,41,55,61-decaoxaundecacyclo[34.15.6.3¹³,²⁴.2²³,²⁶.1³,⁷.1¹⁰,¹⁴.0¹⁷,²².0²⁸,³³.0³⁹,⁵⁶.0⁴³,⁴⁸.0⁴⁹,⁵³]tetrahexaconta-1(51),3,5,7(64),17(22),18,20,23(59),24,26(58),28,30,32,43(48),44,46,49,52-octadecaen-45-yl]oxy}-3,4,5-trihydroxybenzoate
Oenothein a is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Oenothein a can be found in evening primrose, which makes oenothein a a potential biomarker for the consumption of this food product.
[3,4,5,13,21,22,23-Heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[4,5,6,19,20,21,24,25,29,30,31,37,46,47,50,51,63-heptadecahydroxy-8,16,34,42,54,60-hexaoxo-11,57-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,9,12,15,27,35,38,41,55,61-decaoxaundecacyclo[34.15.6.513,26.13,7.110,14.017,22.028,33.039,56.043,48.049,53.023,59]tetrahexaconta-1(51),3,5,7(64),17,19,21,23,25,28,30,32,43,45,47,49,52,58-octadecaen-45-yl]oxy]-3,4,5-trihydroxybenzoate
[3,4,5,13,21,22,23-Heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[4,5,6,19,20,21,24,25,29,30,31,37,46,47,50,51,63-heptadecahydroxy-8,16,34,42,54,60-hexaoxo-11,57-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,9,12,15,27,35,38,41,55,61-decaoxaundecacyclo[34.15.6.513,26.13,7.110,14.017,22.028,33.039,56.043,48.049,53.023,59]tetrahexaconta-1(51),3,5,7(64),17,19,21,23,25,28,30,32,43,45,47,49,52,58-octadecaen-45-yl]oxy]-3,4,5-trihydroxybenzoate
(1s,2r)-1-[(10s,11s)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl]-3-oxo-1-(3,4,5-trihydroxybenzoyloxy)propan-2-yl 2-{[(11s,12r,13r,35r,36r,37s,38s,60r)-11,35-diformyl-4,5,6,18,19,20,28,29,30,38,45,46,49,50,55,56,60-heptadecahydroxy-9,15,33,41,53,57-hexaoxo-12,36-bis(3,4,5-trihydroxybenzoyloxy)-2,10,14,26,34,40,54,58-octaoxanonacyclo[35.13.4.4¹³,²³.2²²,²⁵.0³,⁸.0¹⁶,²¹.0²⁷,³².0⁴²,⁴⁷.0⁴⁸,⁵²]hexaconta-1(51),3,5,7,16(21),17,19,22,24,27,29,31,42(47),43,45,48(52),49,55-octadecaen-44-yl]oxy}-3,4,5-trihydroxybenzoate
(1s,2r)-1-[(10s,11s)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl]-3-oxo-1-(3,4,5-trihydroxybenzoyloxy)propan-2-yl 2-{[(11s,12r,13r,35r,36r,37s,38s,60r)-11,35-diformyl-4,5,6,18,19,20,28,29,30,38,45,46,49,50,55,56,60-heptadecahydroxy-9,15,33,41,53,57-hexaoxo-12,36-bis(3,4,5-trihydroxybenzoyloxy)-2,10,14,26,34,40,54,58-octaoxanonacyclo[35.13.4.4¹³,²³.2²²,²⁵.0³,⁸.0¹⁶,²¹.0²⁷,³².0⁴²,⁴⁷.0⁴⁸,⁵²]hexaconta-1(51),3,5,7,16(21),17,19,22,24,27,29,31,42(47),43,45,48(52),49,55-octadecaen-44-yl]oxy}-3,4,5-trihydroxybenzoate
(1s,2r)-1-[(10r,11r)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl]-3-oxo-1-(3,4,5-trihydroxybenzoyloxy)propan-2-yl 2-{[(11r,12s,13r,35r,36s,37r,38r,60r)-11,35-diformyl-4,5,6,18,19,20,28,29,30,38,45,46,49,50,55,56,60-heptadecahydroxy-9,15,33,41,53,57-hexaoxo-12,36-bis(3,4,5-trihydroxybenzoyloxy)-2,10,14,26,34,40,54,58-octaoxanonacyclo[35.13.4.4¹³,²³.2²²,²⁵.0³,⁸.0¹⁶,²¹.0²⁷,³².0⁴²,⁴⁷.0⁴⁸,⁵²]hexaconta-1(51),3(8),4,6,16,18,20,22,24,27(32),28,30,42(47),43,45,48(52),49,55-octadecaen-44-yl]oxy}-3,4,5-trihydroxybenzoate
(1s,2r)-1-[(10r,11r)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl]-3-oxo-1-(3,4,5-trihydroxybenzoyloxy)propan-2-yl 2-{[(11r,12s,13r,35r,36s,37r,38r,60r)-11,35-diformyl-4,5,6,18,19,20,28,29,30,38,45,46,49,50,55,56,60-heptadecahydroxy-9,15,33,41,53,57-hexaoxo-12,36-bis(3,4,5-trihydroxybenzoyloxy)-2,10,14,26,34,40,54,58-octaoxanonacyclo[35.13.4.4¹³,²³.2²²,²⁵.0³,⁸.0¹⁶,²¹.0²⁷,³².0⁴²,⁴⁷.0⁴⁸,⁵²]hexaconta-1(51),3(8),4,6,16,18,20,22,24,27(32),28,30,42(47),43,45,48(52),49,55-octadecaen-44-yl]oxy}-3,4,5-trihydroxybenzoate
1-{3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl}-3-oxo-1-(3,4,5-trihydroxybenzoyloxy)propan-2-yl 2-{[11,35-diformyl-4,5,6,18,19,20,28,29,30,38,45,46,49,50,55,56,60-heptadecahydroxy-9,15,33,41,53,57-hexaoxo-12,36-bis(3,4,5-trihydroxybenzoyloxy)-2,10,14,26,34,40,54,58-octaoxanonacyclo[35.13.4.4¹³,²³.2²²,²⁵.0³,⁸.0¹⁶,²¹.0²⁷,³².0⁴²,⁴⁷.0⁴⁸,⁵²]hexaconta-1(51),3(8),4,6,16,18,20,22,24,27(32),28,30,42(47),43,45,48(52),49,55-octadecaen-44-yl]oxy}-3,4,5-trihydroxybenzoate
1-{3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl}-3-oxo-1-(3,4,5-trihydroxybenzoyloxy)propan-2-yl 2-{[11,35-diformyl-4,5,6,18,19,20,28,29,30,38,45,46,49,50,55,56,60-heptadecahydroxy-9,15,33,41,53,57-hexaoxo-12,36-bis(3,4,5-trihydroxybenzoyloxy)-2,10,14,26,34,40,54,58-octaoxanonacyclo[35.13.4.4¹³,²³.2²²,²⁵.0³,⁸.0¹⁶,²¹.0²⁷,³².0⁴²,⁴⁷.0⁴⁸,⁵²]hexaconta-1(51),3(8),4,6,16,18,20,22,24,27(32),28,30,42(47),43,45,48(52),49,55-octadecaen-44-yl]oxy}-3,4,5-trihydroxybenzoate