Exact Mass: 954.446
Exact Mass Matches: 954.446
Found 24 metabolites which its exact mass value is equals to given mass value 954.446,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Amaranthussaponin IV
6-{[4-formyl-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,5-dihydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid
Amaranthussaponin IV is found in cereals and cereal products. Amaranthussaponin IV is a constituent of Amaranthus hypochondriacus (princes feather). Constituent of Amaranthus hypochondriacus (princes feather). Amaranthussaponin IV is found in cereals and cereal products.
Betavulgaroside I
7-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-2-(carboxymethoxy)-3,8-dihydroxy-hexahydro-2H-pyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid
Betavulgaroside I is found in malabar spinach. Betavulgaroside I is a constituent of Beta vulgaris (sugar beet) Constituent of Beta vulgaris (sugar beet). Betavulgaroside I is found in root vegetables and malabar spinach.
(22S)-16-O-beta-D-glucopyranosyl-3-sulfo-cholest-5-ene-1beta,3beta,16beta,22-tetrol 1-O-[alpha-L-rhamnopyranosyl-(1->2)-O-beta-D-xylopyranoside]
(22S)-16-O-beta-D-glucopyranosyl-3-sulfo-cholest-5-ene-1beta,3beta,16beta,22-tetrol 1-O-[alpha-L-rhamnopyranosyl-(1->2)-O-beta-D-xylopyranoside]
(23S,24S)-spirosta-5,25(27)-diene-1beta,3beta,23,24-tetrol-1-O-{O-(2,3-O-diacetyl-alpha-L-rhamnopyranosyl)-(1-->2)-O-[beta-D-xylopyranosyl-(1-->3)]-alpha-L-arabinopyranoside}
(23S,24S)-spirosta-5,25(27)-diene-1beta,3beta,23,24-tetrol-1-O-{O-(2,3-O-diacetyl-alpha-L-rhamnopyranosyl)-(1-->2)-O-[beta-D-xylopyranosyl-(1-->3)]-alpha-L-arabinopyranoside}
Achyranthoside B
7-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-2-(carboxymethoxy)-3,8-dihydroxy-hexahydro-2H-pyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid
Amaranthussaponin IV
6-{[4-formyl-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,5-dihydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid
n-[(2r,3r,4s,6r)-6-{[(5s,6r,9s,11z,13s,16s,18s,20s,21r,22s)-17-{[(2r,4r,5r,6s)-5-(acetyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-3-formyl-5,23-dihydroxy-8,12,18,20,22-pentamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]heptacosa-3,7,11,14,23-pentaen-9-yl]oxy}-2,4-dimethyl-4-nitrooxan-3-yl]methoxycarboximidic acid
n-[(2r,3r,4s,6r)-6-{[(5s,6r,9s,11z,13s,16s,18s,20s,21r,22s)-17-{[(2r,4r,5r,6s)-5-(acetyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-3-formyl-5,23-dihydroxy-8,12,18,20,22-pentamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]heptacosa-3,7,11,14,23-pentaen-9-yl]oxy}-2,4-dimethyl-4-nitrooxan-3-yl]methoxycarboximidic acid
(3s,6s,9s,12s,15s,18s,21s,24s,29as)-24-(4-aminobutyl)-3-benzyl-1,4,7,10,13,16,19,22-octahydroxy-6,12,18,21-tetrakis(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-9-methyl-3h,6h,9h,12h,15h,18h,21h,24h,27h,28h,29h,29ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25-nonaazacycloheptacosan-25-one
(3s,6s,9s,12s,15s,18s,21s,24s,29as)-24-(4-aminobutyl)-3-benzyl-1,4,7,10,13,16,19,22-octahydroxy-6,12,18,21-tetrakis(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-9-methyl-3h,6h,9h,12h,15h,18h,21h,24h,27h,28h,29h,29ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25-nonaazacycloheptacosan-25-one
βetavulgaroside i
NA
{"Ingredient_id": "HBIN018105","Ingredient_name": "\u03b2etavulgaroside i","Alias": "NA","Ingredient_formula": "C47H70O20","Ingredient_Smile": "CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C7C(C(O6)C(=O)O)OC(C(O7)OCC(=O)O)(C(=O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2323","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-(acetyloxy)-5-hydroxy-2-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,4,16'-trioloxy}oxan-3-yl}oxy)-6-methyloxan-4-yl acetate
3-(acetyloxy)-5-hydroxy-2-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,4,16'-trioloxy}oxan-3-yl}oxy)-6-methyloxan-4-yl acetate
(2s,3r,4r,5s,6s)-3-(acetyloxy)-5-hydroxy-2-{[(2s,3r,4s,5s)-5-hydroxy-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-[(1's,2s,2's,3s,4s,4's,7's,8'r,9's,12's,13'r,14'r,16'r)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,4,16'-trioloxy]oxan-3-yl]oxy}-6-methyloxan-4-yl acetate
(2s,3r,4r,5s,6s)-3-(acetyloxy)-5-hydroxy-2-{[(2s,3r,4s,5s)-5-hydroxy-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-[(1's,2s,2's,3s,4s,4's,7's,8'r,9's,12's,13'r,14'r,16'r)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,4,16'-trioloxy]oxan-3-yl]oxy}-6-methyloxan-4-yl acetate
5-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-(carboxymethoxy)-2,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-2,7-dicarboxylic acid
5-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-(carboxymethoxy)-2,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-2,7-dicarboxylic acid
[9-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-1-(3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid
[9-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-1-(3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid
24-(4-aminobutyl)-3-benzyl-1,4,7,10,13,16,19,22-octahydroxy-6,12,18,21-tetrakis(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-9-methyl-3h,6h,9h,12h,15h,18h,21h,24h,27h,28h,29h,29ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25-nonaazacycloheptacosan-25-one
24-(4-aminobutyl)-3-benzyl-1,4,7,10,13,16,19,22-octahydroxy-6,12,18,21-tetrakis(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-9-methyl-3h,6h,9h,12h,15h,18h,21h,24h,27h,28h,29h,29ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25-nonaazacycloheptacosan-25-one
[(1r,2s,3as,3bs,7r,9r,9ar,9bs,11as)-9-{[(2s,3r,4s,5r)-4,5-dihydroxy-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-1-[(2s,3s)-3-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid
[(1r,2s,3as,3bs,7r,9r,9ar,9bs,11as)-9-{[(2s,3r,4s,5r)-4,5-dihydroxy-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-1-[(2s,3s)-3-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid
(2s,3s,4s,5r,6r)-6-{[(2s,3r,4s,4ar,6ar,6bs,8as,12as,14ar,14br)-4-formyl-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,5-dihydroxy-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxane-2-carboxylic acid
(2s,3s,4s,5r,6r)-6-{[(2s,3r,4s,4ar,6ar,6bs,8as,12as,14ar,14br)-4-formyl-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,5-dihydroxy-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxane-2-carboxylic acid
(2r,3s,4as,5s,7s,8r,8ar)-5-{[(3r,4ar,6as,6bs,8ar,12as,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-(carboxymethoxy)-2,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-2,7-dicarboxylic acid
(2r,3s,4as,5s,7s,8r,8ar)-5-{[(3r,4ar,6as,6bs,8ar,12as,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-(carboxymethoxy)-2,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-2,7-dicarboxylic acid
(2r,3r,4ar,5r,7s,8s,8as)-5-{[(3s,4ar,6ar,6bs,8as,12ar,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-(carboxymethoxy)-2,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-2,7-dicarboxylic acid
(2r,3r,4ar,5r,7s,8s,8as)-5-{[(3s,4ar,6ar,6bs,8as,12ar,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-(carboxymethoxy)-2,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-2,7-dicarboxylic acid
n-[(2r,3r,4s,6r)-6-{[(5s,6r,9s,10e,13s,16s,17s,18s,20s,21r,22r)-17-{[(2r,4r,5s,6s)-4-(acetyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-3-formyl-5,23-dihydroxy-8,12,18,20,22-pentamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]heptacosa-3,7,10,14,23-pentaen-9-yl]oxy}-2,4-dimethyl-4-nitrooxan-3-yl]methoxycarboximidic acid
n-[(2r,3r,4s,6r)-6-{[(5s,6r,9s,10e,13s,16s,17s,18s,20s,21r,22r)-17-{[(2r,4r,5s,6s)-4-(acetyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-3-formyl-5,23-dihydroxy-8,12,18,20,22-pentamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]heptacosa-3,7,10,14,23-pentaen-9-yl]oxy}-2,4-dimethyl-4-nitrooxan-3-yl]methoxycarboximidic acid
(2s,3r,4as,5s,7r,8r,8ar)-7-{[(3s,4ar,6ar,6bs,8as,12as,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-2-(carboxymethoxy)-3,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid
(2s,3r,4as,5s,7r,8r,8ar)-7-{[(3s,4ar,6ar,6bs,8as,12as,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-2-(carboxymethoxy)-3,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid
(2s,3r,4as,5s,8r,8ar)-7-{[(3s,4ar,6ar,6bs,8as,12as,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-2-(carboxymethoxy)-3,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid
(2s,3r,4as,5s,8r,8ar)-7-{[(3s,4ar,6ar,6bs,8as,12as,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-2-(carboxymethoxy)-3,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid
