Chemical Formula: C61H94O28
Chemical Formula C61H94O28
Found 13 metabolite its formula value is C61H94O28
Acetylsoyasaponin A2
C61H94O28 (1274.5931323999998)
Acetylsoyasaponin A2 is found in pulses. Acetylsoyasaponin A2 is a constituent of soybean (Glycine max). Constituent of soybean (Glycine max). Acetylsoyasaponin A2 is found in soy bean and pulses.
Theasaponin A3
C61H94O28 (1274.5931323999998)
Theasaponin a3 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Theasaponin a3 can be found in tea, which makes theasaponin a3 a potential biomarker for the consumption of this food product.
16,22-di-O-acetyl-21-O-isovaleryltheasapogenol E 3-O-beta-D-galactopyranosyl(1->2)[beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->3)]-beta-D-glucopyranosiduronic acid|theasaponin E10
C61H94O28 (1274.5931323999998)
Soyasapogenol A base + O-HexA-Hex-Hex, O-Pen-4AcetylHex
C61H94O28 (1274.5931323999998)
Annotation level-3
Acetylsoyasaponin A2
C61H94O28 (1274.5931323999998)
(2s,3s,4s,5r,6r)-6-{[(3s,4r,4ar,6ar,6bs,8r,8ar,9r,10r,12as,14ar,14br)-8,9-bis(acetyloxy)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2z)-2-methylbut-2-enoyl]oxy}-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4-{[(2s,3r,4s,5s)-4,5-dihydroxy-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
C61H94O28 (1274.5931323999998)
(2s,3s,4s,5r,6r)-6-{[(3s,4r,4ar,6ar,6bs,8r,8ar,9r,10r,12as,14ar,14br)-8,9-bis(acetyloxy)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2z)-2-methylbut-2-enoyl]oxy}-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4-{[(2s,3s,4s,5s)-4,5-dihydroxy-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
C61H94O28 (1274.5931323999998)
6-{[8,9-bis(acetyloxy)-4-formyl-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(3-methylbutanoyl)oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
C61H94O28 (1274.5931323999998)
(2s,3s,4s,5r,6r)-6-{[(3s,4s,4ar,6ar,6bs,8ar,9s,10r,12as,14ar,14br)-9-{[(2s,3r,4s,5s)-3,5-dihydroxy-4-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,4-dihydroxy-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
C61H94O28 (1274.5931323999998)
6-{[8,9-bis(acetyloxy)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(2-methylbut-2-enoyl)oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
C61H94O28 (1274.5931323999998)
(2s,3s,4s,5r,6r)-6-{[(3s,4s,4ar,6ar,6bs,8r,8ar,9r,10r,12as,14ar,14br)-8,9-bis(acetyloxy)-4-formyl-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(3-methylbutanoyl)oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4-{[(2s,3r,4s,5s)-4,5-dihydroxy-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
C61H94O28 (1274.5931323999998)