Exact Mass: 562.2416
Exact Mass Matches: 562.2416
Found 46 metabolites which its exact mass value is equals to given mass value 562.2416,
within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error
0.0002 dalton.
Baccharinol
(2S,3R,4S,7R,8R)-7-Deoxo-2-deoxy-2,3-epoxy-4,8-dihydroxy-7-[(1R)-1-hydroxyethyl]verrucarin A
(2S,3R,4S,7R,9R,10S)-7-Deoxo-2-deoxy-2,3:9,10-diepoxy-9,10-dihydro-4-hydroxy-7-[(1R)-1-hydroxyethyl]verrucarin A
(2S,3R,4S,7R,9R,10S)-7-Deoxo-2-deoxy-2,3:9,10-diepoxy-9,10-dihydro-4-hydroxy-7-[(1R)-1-hydroxyethyl]verrucarin A
1beta-(p-hydroxyphenylacetyl)-15-O-beta-D-glucopyranosyl-5alpha,6betaH-eudesma-3-en-12,6alpha-olide
1beta-(p-hydroxyphenylacetyl)-15-O-beta-D-glucopyranosyl-5alpha,6betaH-eudesma-3-en-12,6alpha-olide
9-O-butyl-3-O-demethyl-9-O-beta-D-glucopyranosyldehydrodiconiferyl alcohol
9-O-butyl-3-O-demethyl-9-O-beta-D-glucopyranosyldehydrodiconiferyl alcohol
(5S)-1,7-bis-(3,4-dihydroxyphenyl)-5-hydroxy-3-heptanone-5-O-[2-(2-methylbutenoyl)]-beta-D-xylopyranoside|alnuside C
(5S)-1,7-bis-(3,4-dihydroxyphenyl)-5-hydroxy-3-heptanone-5-O-[2-(2-methylbutenoyl)]-beta-D-xylopyranoside|alnuside C
Otilonium Bromide
Otilonium Bromide
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D005765 - Gastrointestinal Agents Otilonium bromide (OB) is an orally active mAChR inhibitor and smooth muscle relaxant which can interfere with the mobilization of calcium in intestinal smooth muscle, OB can be used for research of irritable bowel syndrome[1][2][3].
Flumatinib
Flumatinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
(3r,6z,10s,14z,19r,22s,23s,26r,29r)-1,22,29-trihydroxy-10-(2-hydroxyacetyl)-2,22-dimethyl-4,11,17,25-tetraoxahexacyclo[21.3.1.1³,²⁶.1¹⁰,¹⁴.0²,¹⁹.0¹⁹,²⁴]nonacosa-6,14-diene-5,16-dione
(3r,6z,10s,14z,19r,22s,23s,26r,29r)-1,22,29-trihydroxy-10-(2-hydroxyacetyl)-2,22-dimethyl-4,11,17,25-tetraoxahexacyclo[21.3.1.1³,²⁶.1¹⁰,¹⁴.0²,¹⁹.0¹⁹,²⁴]nonacosa-6,14-diene-5,16-dione
(4s,10s,11s,13s,14s,16r,17s,18r,21s,24s)-24-(acetyloxy)-9,9,13,16,17,21-hexamethyl-7,19-dioxo-2,8,20,22,23-pentaoxahexacyclo[12.8.1.1¹⁸,²¹.0¹,¹⁶.0⁴,¹⁰.0⁴,¹⁴]tetracos-5-en-11-yl acetate
(4s,10s,11s,13s,14s,16r,17s,18r,21s,24s)-24-(acetyloxy)-9,9,13,16,17,21-hexamethyl-7,19-dioxo-2,8,20,22,23-pentaoxahexacyclo[12.8.1.1¹⁸,²¹.0¹,¹⁶.0⁴,¹⁰.0⁴,¹⁴]tetracos-5-en-11-yl acetate
(1r,8r,9s,10r,11r,13r,14s,15s,18s,24r,26s,27r)-10,15,26,27-tetrahydroxy-9,15-dimethyl-7,12,20,25,28-pentaoxaheptacyclo[21.4.3.1⁸,¹¹.1¹⁰,¹⁴.0¹,²⁴.0⁹,¹⁸.0¹³,¹⁸]dotriaconta-4,22-diene-6,21-dione
(1r,8r,9s,10r,11r,13r,14s,15s,18s,24r,26s,27r)-10,15,26,27-tetrahydroxy-9,15-dimethyl-7,12,20,25,28-pentaoxaheptacyclo[21.4.3.1⁸,¹¹.1¹⁰,¹⁴.0¹,²⁴.0⁹,¹⁸.0¹³,¹⁸]dotriaconta-4,22-diene-6,21-dione
(1r,5s,7s,8r,11r,12z,14e,18s,20r,22s,23s,25r,28r)-8-hydroxy-11-[(1s)-1-hydroxyethyl]-7,25,28-trimethyl-20-[(2r)-oxiran-2-yl]-3,6,10,17,21,24-hexaoxahexacyclo[16.9.1.0¹,²².0⁵,⁷.0²⁰,²⁸.0²³,²⁵]octacosa-12,14-diene-4,16-dione
(1r,5s,7s,8r,11r,12z,14e,18s,20r,22s,23s,25r,28r)-8-hydroxy-11-[(1s)-1-hydroxyethyl]-7,25,28-trimethyl-20-[(2r)-oxiran-2-yl]-3,6,10,17,21,24-hexaoxahexacyclo[16.9.1.0¹,²².0⁵,⁷.0²⁰,²⁸.0²³,²⁵]octacosa-12,14-diene-4,16-dione
10,15,26,27-tetrahydroxy-9,15-dimethyl-7,12,20,25,28-pentaoxaheptacyclo[21.4.3.1⁸,¹¹.1¹⁰,¹⁴.0¹,²⁴.0⁹,¹⁸.0¹³,¹⁸]dotriaconta-4,22-diene-6,21-dione
10,15,26,27-tetrahydroxy-9,15-dimethyl-7,12,20,25,28-pentaoxaheptacyclo[21.4.3.1⁸,¹¹.1¹⁰,¹⁴.0¹,²⁴.0⁹,¹⁸.0¹³,¹⁸]dotriaconta-4,22-diene-6,21-dione
alnuside c
NA
{"Ingredient_id": "HBIN015275","Ingredient_name": "alnuside c","Alias": "NA","Ingredient_formula": "C29H38O11","Ingredient_Smile": "CCC(C)C(=O)OC1C(C(COC1OC(CCC2=CC(=C(C=C2)O)O)CC(=O)CCC3=CC(=C(C=C3)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "961","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
baccharin
NA
{"Ingredient_id": "HBIN017488","Ingredient_name": "baccharin","Alias": "NA","Ingredient_formula": "C29H38O11","Ingredient_Smile": "CC(C1C=CC=CC(=O)OC2CC3C4(C2(C5(CCC6(C(C5O3)O6)C)COC(=O)C7C(O7)(C(CO1)O)C)C)CO4)O","Ingredient_weight": "562.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6442;20997","PubChem_id": "117587576","DrugBank_id": "NA"}
methyl (3s)-3-(acetyloxy)-3-[(1r,2r,5r,6r,7r,8s,10s,11s,14s)-11-(furan-3-yl)-8-hydroxy-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.0¹,¹⁴.0²,⁷]pentadecan-6-yl]propanoate
methyl (3s)-3-(acetyloxy)-3-[(1r,2r,5r,6r,7r,8s,10s,11s,14s)-11-(furan-3-yl)-8-hydroxy-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.0¹,¹⁴.0²,⁷]pentadecan-6-yl]propanoate
(3s,3as,5ar,6r,9as,9bs)-3,5a-dimethyl-2-oxo-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3h,3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-6-yl 2-(4-hydroxyphenyl)acetate
(3s,3as,5ar,6r,9as,9bs)-3,5a-dimethyl-2-oxo-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3h,3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-6-yl 2-(4-hydroxyphenyl)acetate
(1s,3r,7r,10s,12s,13r,15s,16s,17s,18s,21r,22s,24r,25s,26s)-12,15,25-trihydroxy-9,9,21,24,26-pentamethyl-4,8,19,23,29-pentaoxaoctacyclo[13.13.1.0¹,¹³.0³,⁷.0³,¹⁰.0¹⁶,²⁶.0¹⁷,²⁴.0¹⁸,²²]nonacosane-5,14,20-trione
(1s,3r,7r,10s,12s,13r,15s,16s,17s,18s,21r,22s,24r,25s,26s)-12,15,25-trihydroxy-9,9,21,24,26-pentamethyl-4,8,19,23,29-pentaoxaoctacyclo[13.13.1.0¹,¹³.0³,⁷.0³,¹⁰.0¹⁶,²⁶.0¹⁷,²⁴.0¹⁸,²²]nonacosane-5,14,20-trione
(1's,2r,3'r,6'r,12's,14'r,15's,18'r,19'e,21'z,25'r,26's)-6',15'-dihydroxy-18'-[(1r)-1-hydroxyethyl]-5',14',26'-trimethyl-2',10',13',17',24'-pentaoxaspiro[oxirane-2,27'-pentacyclo[23.2.1.0³,⁸.0⁸,²⁶.0¹²,¹⁴]octacosane]-4',19',21'-triene-11',23'-dione
(1's,2r,3'r,6'r,12's,14'r,15's,18'r,19'e,21'z,25'r,26's)-6',15'-dihydroxy-18'-[(1r)-1-hydroxyethyl]-5',14',26'-trimethyl-2',10',13',17',24'-pentaoxaspiro[oxirane-2,27'-pentacyclo[23.2.1.0³,⁸.0⁸,²⁶.0¹²,¹⁴]octacosane]-4',19',21'-triene-11',23'-dione
(2s,3r,4s,5r)-2-{[(3s)-1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl (2r)-2-methylbutanoate
(2s,3r,4s,5r)-2-{[(3s)-1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl (2r)-2-methylbutanoate
methyl 2-[(1s,3r,4r,5s,7s,8s,9s,10s,11s,12s,16r)-5-(acetyloxy)-12-(furan-3-yl)-4,10-dihydroxy-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.0¹,¹¹.0³,⁸]heptadecan-7-yl]acetate
methyl 2-[(1s,3r,4r,5s,7s,8s,9s,10s,11s,12s,16r)-5-(acetyloxy)-12-(furan-3-yl)-4,10-dihydroxy-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.0¹,¹¹.0³,⁸]heptadecan-7-yl]acetate
(1r,3s,7r,8r,10r,11r,12s,14r,15r,18r)-7-{[(2s,3r,4r,6r)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-8,12,18-trihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-5-en-13-one
(1r,3s,7r,8r,10r,11r,12s,14r,15r,18r)-7-{[(2s,3r,4r,6r)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-8,12,18-trihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-5-en-13-one
(8r,9s,10r,11r,13r,14s,15s,18r,24r,26s,27s)-10,15,26,27-tetrahydroxy-9,15-dimethyl-7,12,20,25,28-pentaoxaheptacyclo[21.4.3.1⁸,¹¹.1¹⁰,¹⁴.0¹,²⁴.0⁹,¹⁸.0¹³,¹⁸]dotriaconta-4,22-diene-6,21-dione
(8r,9s,10r,11r,13r,14s,15s,18r,24r,26s,27s)-10,15,26,27-tetrahydroxy-9,15-dimethyl-7,12,20,25,28-pentaoxaheptacyclo[21.4.3.1⁸,¹¹.1¹⁰,¹⁴.0¹,²⁴.0⁹,¹⁸.0¹³,¹⁸]dotriaconta-4,22-diene-6,21-dione
2-{[1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl 2-methylbutanoate
2-{[1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl 2-methylbutanoate
7-[(3,4-dihydroxy-6-methyloxan-2-yl)oxy]-8,12,18-trihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-5-en-13-one
7-[(3,4-dihydroxy-6-methyloxan-2-yl)oxy]-8,12,18-trihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-5-en-13-one
3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacosan-4-one
3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacosan-4-one
(2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-2-(3-hydroxy-5-pentylphenoxycarbonyl)-3-pentylphenoxy]oxane-2-carboxylic acid
(2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-2-(3-hydroxy-5-pentylphenoxycarbonyl)-3-pentylphenoxy]oxane-2-carboxylic acid
methyl (2r)-2-[(1s,2r,6r,7r,10r,11s,12s,14s,15r,16r)-14-(acetyloxy)-6-(furan-3-yl)-15,16-dihydroxy-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶]octadecan-12-yl]-2-hydroxyacetate
methyl (2r)-2-[(1s,2r,6r,7r,10r,11s,12s,14s,15r,16r)-14-(acetyloxy)-6-(furan-3-yl)-15,16-dihydroxy-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶]octadecan-12-yl]-2-hydroxyacetate
3,5a-dimethyl-2-oxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3h,3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-6-yl 2-(4-hydroxyphenyl)acetate
3,5a-dimethyl-2-oxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3h,3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-6-yl 2-(4-hydroxyphenyl)acetate
(1's,2r,3's,6's,8's,12'r,14's,15'r,18'r,19'e,21'e,25's,26'r)-6',15'-dihydroxy-18'-[(1s)-1-hydroxyethyl]-5',14',26'-trimethyl-2',10',13',17',24'-pentaoxaspiro[oxirane-2,27'-pentacyclo[23.2.1.0³,⁸.0⁸,²⁶.0¹²,¹⁴]octacosane]-4',19',21'-triene-11',23'-dione
(1's,2r,3's,6's,8's,12'r,14's,15'r,18'r,19'e,21'e,25's,26'r)-6',15'-dihydroxy-18'-[(1s)-1-hydroxyethyl]-5',14',26'-trimethyl-2',10',13',17',24'-pentaoxaspiro[oxirane-2,27'-pentacyclo[23.2.1.0³,⁸.0⁸,²⁶.0¹²,¹⁴]octacosane]-4',19',21'-triene-11',23'-dione
12,15,25-trihydroxy-9,9,21,24,26-pentamethyl-4,8,19,23,29-pentaoxaoctacyclo[13.13.1.0¹,¹³.0³,⁷.0³,¹⁰.0¹⁶,²⁶.0¹⁷,²⁴.0¹⁸,²²]nonacosane-5,14,20-trione
12,15,25-trihydroxy-9,9,21,24,26-pentamethyl-4,8,19,23,29-pentaoxaoctacyclo[13.13.1.0¹,¹³.0³,⁷.0³,¹⁰.0¹⁶,²⁶.0¹⁷,²⁴.0¹⁸,²²]nonacosane-5,14,20-trione
(1'r,3'r,6'r,8'r,12's,14'r,15's,18'r,19'e,21'z,25'r,26's)-6',15'-dihydroxy-18'-[(1r)-1-hydroxyethyl]-5',14',26'-trimethyl-2',10',13',17',24'-pentaoxaspiro[oxirane-2,27'-pentacyclo[23.2.1.0³,⁸.0⁸,²⁶.0¹²,¹⁴]octacosane]-4',19',21'-triene-11',23'-dione
(1'r,3'r,6'r,8'r,12's,14'r,15's,18'r,19'e,21'z,25'r,26's)-6',15'-dihydroxy-18'-[(1r)-1-hydroxyethyl]-5',14',26'-trimethyl-2',10',13',17',24'-pentaoxaspiro[oxirane-2,27'-pentacyclo[23.2.1.0³,⁸.0⁸,²⁶.0¹²,¹⁴]octacosane]-4',19',21'-triene-11',23'-dione
methyl 2-[14-(acetyloxy)-6-(furan-3-yl)-15,16-dihydroxy-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶]octadecan-12-yl]-2-hydroxyacetate
methyl 2-[14-(acetyloxy)-6-(furan-3-yl)-15,16-dihydroxy-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶]octadecan-12-yl]-2-hydroxyacetate
(1r,3s,7r,8r,10r,11s,12s,14r,15r,18r)-7-{[(2s,3r,4s,6r)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-8,12,18-trihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-5-en-13-one
(1r,3s,7r,8r,10r,11s,12s,14r,15r,18r)-7-{[(2s,3r,4s,6r)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-8,12,18-trihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-5-en-13-one
3,4,5-trihydroxy-6-[5-hydroxy-2-(3-hydroxy-5-pentylphenoxycarbonyl)-3-pentylphenoxy]oxane-2-carboxylic acid
3,4,5-trihydroxy-6-[5-hydroxy-2-(3-hydroxy-5-pentylphenoxycarbonyl)-3-pentylphenoxy]oxane-2-carboxylic acid
