Exact Mass: 1232.6288378
Exact Mass Matches: 1232.6288378
Found 27 metabolites which its exact mass value is equals to given mass value 1232.6288378,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Theasaponin
(2S,3S,4S,5R,6R)-6-{[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-(acetyloxy)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2Z)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(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-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
Theasaponin is a member of the class of compounds known as triterpene saponins. Triterpene saponins are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Theasaponin is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Theasaponin can be found in tea, which makes theasaponin a potential biomarker for the consumption of this food product.
Assamsaponin D
6-{[9-(acetyloxy)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2Z)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-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
Assamsaponin D is found in tea. Assamsaponin D is a constituent of Assam tea (Camellia sinensis var. assamica) seeds Constituent of Assam tea (Camellia sinensis variety assamica) seeds. Assamsaponin D is found in tea.
Chakasaponin III
(2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-9-(acetyloxy)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-{[(2E)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-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
Chakasaponin iii is a member of the class of compounds known as triterpene saponins. Triterpene saponins are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Chakasaponin iii is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Chakasaponin iii can be found in tea, which makes chakasaponin iii a potential biomarker for the consumption of this food product.
Theasaponin A2
(2S,3S,4S,5R)-6-{[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-[(acetyloxy)methyl]-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2Z)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-{[(2S,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
Theasaponin a2 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Theasaponin a2 can be found in tea, which makes theasaponin a2 a potential biomarker for the consumption of this food product.
lineolon 3-O-beta-D-glucopyranosyl-(1->4)-beta-D-oleandropyranosyl-(1->4)-beta-D-cymaropyranosyl-(1->4)-beta-D-oleandropyranosyl-(1->4)-beta-D-oleandropyranosyl-(1->4)-beta-D-canaropyranoside
lineolon 3-O-beta-D-glucopyranosyl-(1->4)-beta-D-oleandropyranosyl-(1->4)-beta-D-cymaropyranosyl-(1->4)-beta-D-oleandropyranosyl-(1->4)-beta-D-oleandropyranosyl-(1->4)-beta-D-canaropyranoside
3-O-[beta-D-glucopyranosyl(1->2)]-[alpha-L-arabinopyranosyl(1->3)]-[alpha-L-arabinofuranosyl(1->4)]-beta-D-glucuronopyranosyl-21-angeloyl-28-acetyl-R1-barrigenol|saponin IIIB2
3-O-[beta-D-glucopyranosyl(1->2)]-[alpha-L-arabinopyranosyl(1->3)]-[alpha-L-arabinofuranosyl(1->4)]-beta-D-glucuronopyranosyl-21-angeloyl-28-acetyl-R1-barrigenol|saponin IIIB2
3-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucuronopyranosyl gypsogenin 28-O-beta-D-xylopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->2)-beta-D-fucopyranoside
3-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucuronopyranosyl gypsogenin 28-O-beta-D-xylopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->2)-beta-D-fucopyranoside
3-O-[alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl]-3beta-hydroxy-olean-11,13(18)-dien-28-oic acid 28-O-[alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl] ester
3-O-[alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl]-3beta-hydroxy-olean-11,13(18)-dien-28-oic acid 28-O-[alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl] ester
assamsaponin D
6-{[9-(acetyloxy)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2Z)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-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
3-O-[beta-D-glucopyranosyl(1->2)]-[alpha-L-arabinopyranosyl(1->3)]-[alpha-L-arabinofuranosyl(1->4)]-beta-D-glucuronopyranosyl-21-angeloyl-22-acetyl-R1-barrigenol|saponin IIIA3
3-O-[beta-D-glucopyranosyl(1->2)]-[alpha-L-arabinopyranosyl(1->3)]-[alpha-L-arabinofuranosyl(1->4)]-beta-D-glucuronopyranosyl-21-angeloyl-22-acetyl-R1-barrigenol|saponin IIIA3
22-O-cis-2-hexenoyl-barrigenol A1 3-O-[beta-D-glucopyranosyl(1->2)][alpha-L-rhamnopyranosyl(1->2)-beta-D-galactopyranosyl(1->3)]-beta-D-glucuronopyranoside|sasanquasaponin I
22-O-cis-2-hexenoyl-barrigenol A1 3-O-[beta-D-glucopyranosyl(1->2)][alpha-L-rhamnopyranosyl(1->2)-beta-D-galactopyranosyl(1->3)]-beta-D-glucuronopyranoside|sasanquasaponin I
16alpha-acetoxy-21beta-hydroxy-22alpha-angeloyl-13beta,28-epoxydoolean-28alpha-ol 3-O-[alpha-rhamnopyranosyl-(1?6)-beta-glucopyranosyl-(1?3)][beta-glucopyranosyl-(1?2)]-alpha-arabinopyranoside
16alpha-acetoxy-21beta-hydroxy-22alpha-angeloyl-13beta,28-epoxydoolean-28alpha-ol 3-O-[alpha-rhamnopyranosyl-(1?6)-beta-glucopyranosyl-(1?3)][beta-glucopyranosyl-(1?2)]-alpha-arabinopyranoside
C59H92O27_(3beta,5xi,9xi,15alpha,16alpha,21beta,22alpha)-22-Acetoxy-15,16,28-trihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl alpha-L-arabinopyranosyl-(1->3)-alpha-L-arabinopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosiduronic acid
NCGC00381072-01_C59H92O27_(3beta,5xi,9xi,15alpha,16alpha,21beta,22alpha)-22-Acetoxy-15,16,28-trihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl alpha-L-arabinopyranosyl-(1->3)-alpha-L-arabinopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosiduronic acid
6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b-dodecahydropicene-4a-carboxylate
6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b-dodecahydropicene-4a-carboxylate
(1s,2s,5s,6s,9s,13s,16s,18r)-16-{[(2s,3r,4s,5r)-3-{[(2s,3r,4r,5s,6r)-5-{[(2s,3r,4s,5r)-4-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylperoxy)oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,13,17,17-pentamethyl-6-(4-methylpent-4-en-1-yl)-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icos-11-ene-4,8-dione
(1s,2s,5s,6s,9s,13s,16s,18r)-16-{[(2s,3r,4s,5r)-3-{[(2s,3r,4r,5s,6r)-5-{[(2s,3r,4s,5r)-4-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylperoxy)oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,13,17,17-pentamethyl-6-(4-methylpent-4-en-1-yl)-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icos-11-ene-4,8-dione
1-[(1r,3ar,3bs,7s,9ar,9br,11r,11as)-3a,3b,11-trihydroxy-7-{[(2r,4r,5s,6r)-4-hydroxy-5-{[(2s,4r,5r,6r)-4-methoxy-5-{[(2s,4r,5r,6r)-4-methoxy-5-{[(2s,4s,5r,6r)-4-methoxy-5-{[(2s,4r,5r,6r)-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone
1-[(1r,3ar,3bs,7s,9ar,9br,11r,11as)-3a,3b,11-trihydroxy-7-{[(2r,4r,5s,6r)-4-hydroxy-5-{[(2s,4r,5r,6r)-4-methoxy-5-{[(2s,4r,5r,6r)-4-methoxy-5-{[(2s,4s,5r,6r)-4-methoxy-5-{[(2s,4r,5r,6r)-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone
(2s,3s,4s,5r,6r)-6-{[(3s,4r,6ar,6bs,8r,8ar,9r,10r,14br)-9-(acetyloxy)-8-hydroxy-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-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
(2s,3s,4s,5r,6r)-6-{[(3s,4r,6ar,6bs,8r,8ar,9r,10r,14br)-9-(acetyloxy)-8-hydroxy-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-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
1-[3a,3b,11-trihydroxy-7-({4-hydroxy-5-[(4-methoxy-5-{[4-methoxy-5-({4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone
1-[3a,3b,11-trihydroxy-7-({4-hydroxy-5-[(4-methoxy-5-{[4-methoxy-5-({4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone