Exact Mass: 968.4248

Exact Mass Matches: 968.4248

Found 11 metabolites which its exact mass value is equals to given mass value 968.4248, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

Basellasaponin B

2-(carboxymethoxy)-7-{[4-formyl-4,6a,6b,11,11,14b-hexamethyl-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}-3,8-dihydroxy-hexahydro-2H-pyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid

C47H68O21 (968.4253)


Basellasaponin B is found in green vegetables. Basellasaponin B is a constituent of Basella rubra (Malabar spinach). Constituent of Basella rubra (Malabar spinach). Basellasaponin B is found in green vegetables and malabar spinach.

   
   

Basellasaponin B

2-(carboxymethoxy)-7-{[4-formyl-4,6a,6b,11,11,14b-hexamethyl-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}-3,8-dihydroxy-hexahydro-2H-pyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid

C47H68O21 (968.4253)


   

2-[(4s,10s,13s,23s,26s,29s)-23-[(2s)-butan-2-yl]-2,11,14,21,24,27-hexahydroxy-13-(hydroxymethyl)-29-[(4-hydroxyphenyl)methyl]-16,26-bis(2-methylpropyl)-5-oxo-18,31-dithia-3,6,12,15,22,25,28,33,34-nonaazatetracyclo[28.2.1.1¹⁷,²⁰.0⁶,¹⁰]tetratriaconta-1(32),2,11,14,17(34),21,24,27,30(33)-nonaen-4-yl]ethanimidic acid

2-[(4s,10s,13s,23s,26s,29s)-23-[(2s)-butan-2-yl]-2,11,14,21,24,27-hexahydroxy-13-(hydroxymethyl)-29-[(4-hydroxyphenyl)methyl]-16,26-bis(2-methylpropyl)-5-oxo-18,31-dithia-3,6,12,15,22,25,28,33,34-nonaazatetracyclo[28.2.1.1¹⁷,²⁰.0⁶,¹⁰]tetratriaconta-1(32),2,11,14,17(34),21,24,27,30(33)-nonaen-4-yl]ethanimidic acid

C45H64N10O10S2 (968.4248)


   

basellasaponin b

NA

C47H68O21 (968.4253)


{"Ingredient_id": "HBIN017607","Ingredient_name": "basellasaponin b","Alias": "NA","Ingredient_formula": "C47H68O21","Ingredient_Smile": "CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C=O)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": "969 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2158","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101720818","DrugBank_id": "NA"}

   

2-[(4s,10s,13s,16s,20s,23s,26s,29s)-23-[(2s)-butan-2-yl]-2,11,14,21,24,27-hexahydroxy-13-(hydroxymethyl)-29-[(4-hydroxyphenyl)methyl]-16,26-bis(2-methylpropyl)-5-oxo-18,31-dithia-3,6,12,15,22,25,28,33,34-nonaazatetracyclo[28.2.1.1¹⁷,²⁰.0⁶,¹⁰]tetratriaconta-1(32),2,11,14,17(34),21,24,27,30(33)-nonaen-4-yl]ethanimidic acid

2-[(4s,10s,13s,16s,20s,23s,26s,29s)-23-[(2s)-butan-2-yl]-2,11,14,21,24,27-hexahydroxy-13-(hydroxymethyl)-29-[(4-hydroxyphenyl)methyl]-16,26-bis(2-methylpropyl)-5-oxo-18,31-dithia-3,6,12,15,22,25,28,33,34-nonaazatetracyclo[28.2.1.1¹⁷,²⁰.0⁶,¹⁰]tetratriaconta-1(32),2,11,14,17(34),21,24,27,30(33)-nonaen-4-yl]ethanimidic acid

C45H64N10O10S2 (968.4248)


   

2-[(4s,10s,13s,16s,20r,23s,26s,29s)-23-[(2s)-butan-2-yl]-2,11,14,21,24,27-hexahydroxy-13-(hydroxymethyl)-29-[(4-hydroxyphenyl)methyl]-16,26-bis(2-methylpropyl)-5-oxo-18,31-dithia-3,6,12,15,22,25,28,33,34-nonaazatetracyclo[28.2.1.1¹⁷,²⁰.0⁶,¹⁰]tetratriaconta-1(32),2,11,14,17(34),21,24,27,30(33)-nonaen-4-yl]ethanimidic acid

2-[(4s,10s,13s,16s,20r,23s,26s,29s)-23-[(2s)-butan-2-yl]-2,11,14,21,24,27-hexahydroxy-13-(hydroxymethyl)-29-[(4-hydroxyphenyl)methyl]-16,26-bis(2-methylpropyl)-5-oxo-18,31-dithia-3,6,12,15,22,25,28,33,34-nonaazatetracyclo[28.2.1.1¹⁷,²⁰.0⁶,¹⁰]tetratriaconta-1(32),2,11,14,17(34),21,24,27,30(33)-nonaen-4-yl]ethanimidic acid

C45H64N10O10S2 (968.4248)


   

(2s,3r,4as,5s,7r,8r,8ar)-7-{[(3s,4s,4ar,6ar,6bs,8as,12as,14ar,14br)-4-formyl-4,6a,6b,11,11,14b-hexamethyl-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,4s,4ar,6ar,6bs,8as,12as,14ar,14br)-4-formyl-4,6a,6b,11,11,14b-hexamethyl-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

C47H68O21 (968.4253)


   

(2s,3r,4as,5s,7r,8r,8ar)-7-{[(3s,4s,4as,6ar,6bs,8as,12as,14ar,14br)-4-formyl-4,6a,6b,11,11,14b-hexamethyl-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,4s,4as,6ar,6bs,8as,12as,14ar,14br)-4-formyl-4,6a,6b,11,11,14b-hexamethyl-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

C47H68O21 (968.4253)


   

2-[2,11,14,21,24,27-hexahydroxy-13-(hydroxymethyl)-29-[(4-hydroxyphenyl)methyl]-16,26-bis(2-methylpropyl)-5-oxo-23-(sec-butyl)-18,31-dithia-3,6,12,15,22,25,28,33,34-nonaazatetracyclo[28.2.1.1¹⁷,²⁰.0⁶,¹⁰]tetratriaconta-1(32),2,11,14,17(34),21,24,27,30(33)-nonaen-4-yl]ethanimidic acid

2-[2,11,14,21,24,27-hexahydroxy-13-(hydroxymethyl)-29-[(4-hydroxyphenyl)methyl]-16,26-bis(2-methylpropyl)-5-oxo-23-(sec-butyl)-18,31-dithia-3,6,12,15,22,25,28,33,34-nonaazatetracyclo[28.2.1.1¹⁷,²⁰.0⁶,¹⁰]tetratriaconta-1(32),2,11,14,17(34),21,24,27,30(33)-nonaen-4-yl]ethanimidic acid

C45H64N10O10S2 (968.4248)


   

2-[(4s,10s,13s,23r,26s,29s)-23-[(2s)-butan-2-yl]-2,11,14,21,24,27-hexahydroxy-13-(hydroxymethyl)-29-[(4-hydroxyphenyl)methyl]-16,26-bis(2-methylpropyl)-5-oxo-18,31-dithia-3,6,12,15,22,25,28,33,34-nonaazatetracyclo[28.2.1.1¹⁷,²⁰.0⁶,¹⁰]tetratriaconta-1(32),2,11,14,17(34),21,24,27,30(33)-nonaen-4-yl]ethanimidic acid

2-[(4s,10s,13s,23r,26s,29s)-23-[(2s)-butan-2-yl]-2,11,14,21,24,27-hexahydroxy-13-(hydroxymethyl)-29-[(4-hydroxyphenyl)methyl]-16,26-bis(2-methylpropyl)-5-oxo-18,31-dithia-3,6,12,15,22,25,28,33,34-nonaazatetracyclo[28.2.1.1¹⁷,²⁰.0⁶,¹⁰]tetratriaconta-1(32),2,11,14,17(34),21,24,27,30(33)-nonaen-4-yl]ethanimidic acid

C45H64N10O10S2 (968.4248)