Exact Mass: 1276.7696

Exact Mass Matches: 1276.7696

Found 7 metabolites which its exact mass value is equals to given mass value 1276.7696, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Simonin I

6-{[5-(decanoyloxy)-4-hydroxy-2-methyl-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)oxan-3-yl]oxy}-4-hydroxy-2-methyl-5-{[(2E)-3-phenylprop-2-enoyl]oxy}oxan-3-yl decanoic acid

C69H112O21 (1276.7696)

Constituent of the roots of Ipomoea batatas (sweet potato). Simonin I is found in root vegetables and potato. Simonin I is found in potato. Simonin I is a constituent of the roots of Ipomoea batatas (sweet potato)

Simonin I

6-{[5-(decanoyloxy)-4-hydroxy-2-methyl-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)oxan-3-yl]oxy}-4-hydroxy-2-methyl-5-{[(2E)-3-phenylprop-2-enoyl]oxy}oxan-3-yl decanoate

C69H112O21 (1276.7696)

2-((N-((2R)-2-((3R,4R,5S,6R)-3-(Acetylamino)-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yloxy)propanoyl)-L-alanyl-D-isoglutaminyl-L-alanyl)amino)ethyl (2R)-2,3-bis(hexanoyloxy)propyl sodium phosphate hydrate

2-((N-((2R)-2-((3R,4R,5S,6R)-3-(Acetylamino)-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yloxy)propanoyl)-L-alanyl-D-isoglutaminyl-L-alanyl)amino)ethyl (2R)-2,3-bis(hexanoyloxy)propyl sodium phosphate hydrate

C59H110N6NaO20P (1276.741)

C308 - Immunotherapeutic Agent > C2139 - Immunostimulant D007155 - Immunologic Factors

[(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[hydroxy-[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]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] acetate

[(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[hydroxy-[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]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] acetate

C69H114O17P2 (1276.7531)

[(2S,3S,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[hydroxy-[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]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate

[(2S,3S,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[hydroxy-[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]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate

C69H114O17P2 (1276.7531)

MLCL 61:10

C70H118O16P2 (1276.7895)

CL(60:10CHO)

CL(60:10(1CHO))

C69H114O17P2 (1276.7531)