Exact Mass: 1250.7374
Exact Mass Matches: 1250.7374
Found 19 metabolites which its exact mass value is equals to given mass value 1250.7374,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
D-Glc-beta-(1->4)-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol
beta-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl 3-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl] dihydrogen diphosphate
Simonin III
4,5-Dihydroxy-2-methyl-6-({2-methyl-5-[(2-methylbutanoyl)oxy]-6-({7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]hexacosan-6-yl}oxy)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl}oxy)oxan-3-yl dodecanoic acid
Constituent of the roots of Ipomoea batatas (sweet potato). Simonin III is found in root vegetables and potato. Simonin III is found in potato. Simonin III is a constituent of the roots of Ipomoea batatas (sweet potato)
Simonin III
4,5-dihydroxy-2-methyl-6-({2-methyl-5-[(2-methylbutanoyl)oxy]-6-({7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0^{3,8}]hexacosan-6-yl}oxy)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl}oxy)oxan-3-yl dodecanoate
[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] [hydroxy-[(2E,6E,10E,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)-2,6,10,14,18,22,26,30,34,38,42-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] hydrogen phosphate
[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] [hydroxy-[(2E,6E,10E,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)-2,6,10,14,18,22,26,30,34,38,42-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] hydrogen phosphate
[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] [hydroxy-[(2E,6E,10E,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)-2,6,10,14,18,22,26,30,34,38,42-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] hydrogen phosphate
[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] [hydroxy-[(2E,6E,10E,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)-2,6,10,14,18,22,26,30,34,38,42-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] hydrogen phosphate
[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] [hydroxy-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] hydrogen phosphate
[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] [hydroxy-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] hydrogen phosphate
beta-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl 3-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl] dihydrogen diphosphate
beta-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl 3-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl] dihydrogen diphosphate
(2s,3r,4r,5s,6s)-5-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s)-2-methylbutanoyl]oxy}oxan-2-yl]oxy}-6-methyl-2-{[(1s,3r,4s,5r,6r,8s,10s,22s,23s,24s,26r)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.0³,⁸]hexacosan-23-yl]oxy}-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl dodecanoate
(2s,3r,4r,5s,6s)-5-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s)-2-methylbutanoyl]oxy}oxan-2-yl]oxy}-6-methyl-2-{[(1s,3r,4s,5r,6r,8s,10s,22s,23s,24s,26r)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.0³,⁸]hexacosan-23-yl]oxy}-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl dodecanoate
(2s,3r,4r,5s,6s)-5-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s)-2-methylbutanoyl]oxy}oxan-2-yl]oxy}-6-methyl-2-{[(1s,3r,4s,5r,6r,8r,10s,22s,23s,24s,26r)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.0³,⁸]hexacosan-23-yl]oxy}-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl dodecanoate
(2s,3r,4r,5s,6s)-5-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s)-2-methylbutanoyl]oxy}oxan-2-yl]oxy}-6-methyl-2-{[(1s,3r,4s,5r,6r,8r,10s,22s,23s,24s,26r)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.0³,⁸]hexacosan-23-yl]oxy}-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl dodecanoate
(2s,3r,4r,5s,6s)-5-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s)-2-methylbutanoyl]oxy}oxan-2-yl]oxy}-6-methyl-2-{[(1r,3s,5s,6r,7r,8r,20s,22r,24r,25r,26s)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]hexacosan-6-yl]oxy}-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl dodecanoate
(2s,3r,4r,5s,6s)-5-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s)-2-methylbutanoyl]oxy}oxan-2-yl]oxy}-6-methyl-2-{[(1r,3s,5s,6r,7r,8r,20s,22r,24r,25r,26s)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]hexacosan-6-yl]oxy}-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl dodecanoate
(2s,3r,4r,5s,6s)-5-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s)-2-methylbutanoyl]oxy}oxan-2-yl]oxy}-6-methyl-2-{[(1s,3r,4s,5r,6r,8r,10s,22s,23s,24s,26s)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.0³,⁸]hexacosan-23-yl]oxy}-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl dodecanoate
(2s,3r,4r,5s,6s)-5-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s)-2-methylbutanoyl]oxy}oxan-2-yl]oxy}-6-methyl-2-{[(1s,3r,4s,5r,6r,8r,10s,22s,23s,24s,26s)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.0³,⁸]hexacosan-23-yl]oxy}-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl dodecanoate
5-({3,4-dihydroxy-6-methyl-5-[(2-methylbutanoyl)oxy]oxan-2-yl}oxy)-6-methyl-2-({4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.0³,⁸]hexacosan-23-yl}oxy)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl dodecanoate
5-({3,4-dihydroxy-6-methyl-5-[(2-methylbutanoyl)oxy]oxan-2-yl}oxy)-6-methyl-2-({4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.0³,⁸]hexacosan-23-yl}oxy)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl dodecanoate
(2s,3r,4s,5r,6s)-4,5-dihydroxy-2-methyl-6-{[(2s,3s,4r,5r,6s)-2-methyl-5-{[(2s)-2-methylbutanoyl]oxy}-6-{[(1r,3s,5s,6r,7r,8r,20s,22r,24r,25r,26s)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]hexacosan-6-yl]oxy}-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}oxan-3-yl dodecanoate
(2s,3r,4s,5r,6s)-4,5-dihydroxy-2-methyl-6-{[(2s,3s,4r,5r,6s)-2-methyl-5-{[(2s)-2-methylbutanoyl]oxy}-6-{[(1r,3s,5s,6r,7r,8r,20s,22r,24r,25r,26s)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]hexacosan-6-yl]oxy}-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}oxan-3-yl dodecanoate
(2s,3r,4s,5r,6s)-4,5-dihydroxy-2-methyl-6-{[(2s,3s,4r,5r,6s)-2-methyl-5-{[(2r)-2-methylbutanoyl]oxy}-6-{[(1r,3s,5s,6r,7r,8r,20s,22r,24r,25r,26s)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]hexacosan-6-yl]oxy}-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}oxan-3-yl dodecanoate
(2s,3r,4s,5r,6s)-4,5-dihydroxy-2-methyl-6-{[(2s,3s,4r,5r,6s)-2-methyl-5-{[(2r)-2-methylbutanoyl]oxy}-6-{[(1r,3s,5s,6r,7r,8r,20s,22r,24r,25r,26s)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]hexacosan-6-yl]oxy}-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}oxan-3-yl dodecanoate
5-({3,4-dihydroxy-6-methyl-5-[(2-methylbutanoyl)oxy]oxan-2-yl}oxy)-6-methyl-2-({7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]hexacosan-6-yl}oxy)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl dodecanoate
5-({3,4-dihydroxy-6-methyl-5-[(2-methylbutanoyl)oxy]oxan-2-yl}oxy)-6-methyl-2-({7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]hexacosan-6-yl}oxy)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl dodecanoate
