Exact Mass: 968.4186
Exact Mass Matches: 968.4186
Found 14 metabolites which its exact mass value is equals to given mass value 968.4186,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 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
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
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
basellasaponin b
NA
{"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
methyl 2-[6-(furan-3-yl)-17-{1-[6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadeca-2(11),9-dien-16-yl]-2-methoxy-2-oxoethoxy}-14,17-dihydroxy-1,5,15,15-tetramethyl-8-oxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadeca-2(11),9-dien-16-yl]-2-hydroxyacetate
methyl 2-[6-(furan-3-yl)-17-{1-[6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadeca-2(11),9-dien-16-yl]-2-methoxy-2-oxoethoxy}-14,17-dihydroxy-1,5,15,15-tetramethyl-8-oxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadeca-2(11),9-dien-16-yl]-2-hydroxyacetate
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
(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
(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
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
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
