Exact Mass: 1250.7485522
Exact Mass Matches: 1250.7485522
Found 16 metabolites which its exact mass value is equals to given mass value 1250.7485522,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
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
(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
3-[(3r,4r,7s,10e,13s,16s,19s,22r,25s,28s,33as)-10-ethylidene-1,4,5,8,11,14,17,20,23-nonahydroxy-28-(c-hydroxycarbonimidoylmethyl)-13,16-bis[(1r)-1-hydroxyethyl]-3-[(2s)-13-hydroxyhexadecan-2-yl]-7-isopropyl-25-[(1r)-1-methoxyethyl]-22,27-dimethyl-26,29-dioxo-3h,4h,7h,13h,16h,19h,22h,25h,28h,31h,32h,33h,33ah-pyrrolo[2,1-c]1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontan-19-yl]propanimidic acid
3-[(3r,4r,7s,10e,13s,16s,19s,22r,25s,28s,33as)-10-ethylidene-1,4,5,8,11,14,17,20,23-nonahydroxy-28-(c-hydroxycarbonimidoylmethyl)-13,16-bis[(1r)-1-hydroxyethyl]-3-[(2s)-13-hydroxyhexadecan-2-yl]-7-isopropyl-25-[(1r)-1-methoxyethyl]-22,27-dimethyl-26,29-dioxo-3h,4h,7h,13h,16h,19h,22h,25h,28h,31h,32h,33h,33ah-pyrrolo[2,1-c]1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontan-19-yl]propanimidic acid
3-[(3r,4r,7s,13s,16s,19s,22r,25s,28s,33as)-10-ethylidene-1,4,5,8,11,14,17,20,23-nonahydroxy-28-(c-hydroxycarbonimidoylmethyl)-13,16-bis[(1r)-1-hydroxyethyl]-3-[(2s)-13-hydroxyhexadecan-2-yl]-7-isopropyl-25-[(1r)-1-methoxyethyl]-22,27-dimethyl-26,29-dioxo-3h,4h,7h,13h,16h,19h,22h,25h,28h,31h,32h,33h,33ah-pyrrolo[2,1-c]1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontan-19-yl]propanimidic acid
3-[(3r,4r,7s,13s,16s,19s,22r,25s,28s,33as)-10-ethylidene-1,4,5,8,11,14,17,20,23-nonahydroxy-28-(c-hydroxycarbonimidoylmethyl)-13,16-bis[(1r)-1-hydroxyethyl]-3-[(2s)-13-hydroxyhexadecan-2-yl]-7-isopropyl-25-[(1r)-1-methoxyethyl]-22,27-dimethyl-26,29-dioxo-3h,4h,7h,13h,16h,19h,22h,25h,28h,31h,32h,33h,33ah-pyrrolo[2,1-c]1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontan-19-yl]propanimidic acid