Exact Mass: 540.2108
Exact Mass Matches: 540.2108
Found 160 metabolites which its exact mass value is equals to given mass value 540.2108
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Sambacin
Sambacin is found in herbs and spices. Sambacin is isolated from Jasminum sambac (Arabian jasmine).
Cyclo[(2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl],cyclic (3®5)-disulfide
(1S,2R)-1-[4-beta-D-glucopyranosyloxy-3-methoxyphenyl]-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol|(7S,8R)-7,9,9-trihydroxy-3,3-dimethoxy-8-O-4-neolignan-4-O-beta-D-glucopyranoside|(7S,8R)-erythro-7,9,9-tirhydroxy-3,3-dimethoxy-8-O-4-neolignan-4-O-beta-D-glucopyranoside
Romidepsin
A cyclodepsipeptide consisting of the cyclic disulfide of (2Z)-2-aminobut-2-enoyl, L-valyl, (3S,4E)-3-hydroxy-7-sulfanylhept-4-enoyl, D-valyl and D-cysteinyl residues coupled in sequence and cyclised head-to tail. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XH - Histone deacetylase (hdac) inhibitors C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents
(1S,5R,6R,9R)-5,12-epoxy-megastigman-3-on-9-ol 9-O-[6-O-galloyl]-beta-D-glucopyranoside|(9R)-megastigman-3-on-5,11-epoxy-9-ol 9-O-(6-O-galloyl)-beta-D-glucopyranoside|macarangioside C
(6S,9R)-megastigman-4-en-3-one-6,9-diol 9-O-(6-O-galloyl)-beta-D-glucopyranoside|macarangioside A
7-hydroxy-9-beta-glucopyranosyloxylsecoisolariciresinol|cinnacassoside A
7-hydroxy-9-beta-glucopyranosyloxy secoisolariciresinol
7S,8S-4,9,9-trihydroxy-3,3-dimethoxy-8-O-4-neolignan-7-O-beta-D-glucopyranoside|8-O-4-neolignan-7-O-beta-glucopyranoside
1-(4-hydroxymethyl-3-methoxyphenyl)-2-<4-(3-beta-D-glucopyranosyloxypropyl)-2-methoxyphenoxy>-1,3-propanediol|1-(4-hydroxymethyl-3-methoxyphenyl)-2-[4-(3-beta-D-glucopyranosyloxypropyl)-2-methoxyphenoxy]-1,3-propanediol
Glu Thr Tyr Glu
2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]
2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000849029]
Glu Glu Thr Tyr
Glu Glu Tyr Thr
Glu Thr Glu Tyr
Glu Tyr Glu Thr
Glu Tyr Thr Glu
Met Met Pro Tyr
Met Met Tyr Pro
Met Pro Met Tyr
Met Pro Tyr Met
Met Tyr Met Pro
Met Tyr Pro Met
Pro Met Met Tyr
Pro Met Tyr Met
Pro Tyr Met Met
Thr Glu Glu Tyr
Thr Glu Tyr Glu
Thr Tyr Glu Glu
Tyr Glu Glu Thr
Tyr Glu Thr Glu
Tyr Met Met Pro
Tyr Met Pro Met
Tyr Pro Met Met
Tyr Thr Glu Glu
12R-acetoxy-punaglandin 4
12R-acetoxy-7Z-punaglandin 4
12S-acetoxy-punaglandin 5
12R-acetoxy-punaglandin 4
12R-acetoxy-7Z-punaglandin 4
12S-acetoxy-punaglandin 5
Acofide trihydrate
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D005765 - Gastrointestinal Agents D004791 - Enzyme Inhibitors
N-[(1S)-1-[[[(4R,7S)-Hexahydro-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-1H-azepin-4-yl]amino]carbonyl]-3-methylbutyl]-2-benzofurancarboxamide
Relacatib
C471 - Enzyme Inhibitor > C783 - Protease Inhibitor COVID info from Guide to PHARMACOLOGY Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-[3-[4-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Cyclo[(2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl],cyclic (3 not not(R)ao radicalu5)-disulfide
3-fluoro-N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
3-fluoro-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
3-fluoro-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
3-fluoro-N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
3-fluoro-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
3-fluoro-N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
3-fluoro-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
(1R,8E,9Z,14S,15S,17R)-8-ethylidene-15-[(2R)-1-hydroxypropan-2-yl]-17-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadeca-4,9-diene-3,11-dione
20-carboxy-leukotriene B4-(beta-D-glucuronide)(2-)
20-hydroxy-20-oxoleukotriene B4-20-(beta-D-glucuronide)(2-)
A leukotriene anion obtained by deprotonation of the carboxylic acid functions of 20-hydroxy-20-oxoleukotriene B4-20-(beta-D-glucuronide); major species at pH 7.3.
Velusetrag (hydrochloride)
Velusetrag (TD-5108) hydrochloride is an orally active, potent and selective agonist of serotonin 5-HT4 receptor (5-HT4R), with a pKi of 7.7. Velusetrag hydrochloride exhibits no affinity (Ki>10 μM) for 5-HT2A and 5-HT2B receptors. Velusetrag hydrochloride can be used for the research of gastrointestinal diseases and Parkinson's disease[1][2][3][4][5].
(1s,4r,5r,7s,11r,13s,16s,17s,18s,19r)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-16-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one
15-[(1z)-2-(7-hydroxy-2-oxochromen-6-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
n-[(2r,3s,6s,7r,8r)-7-(benzoyloxy)-8-butyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
[(2r,3s,4s,5r,6s)-6-{[(1s,18s,19r,20s)-19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaen-18-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
2-({19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaen-18-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate
(13s,15r)-15-[(1e)-2-(7-hydroxy-2-oxochromen-8-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one
(2r,3r,4s,5s,6r)-2-[3-(4-{[(1s,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(13s,15r)-15-[(1e)-2-(7-hydroxy-2-oxochromen-6-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2r)-4-[(1s)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxy}oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
4,7-bis[(acetyloxy)methyl]-7-hydroxy-6-[(3-methylbutanoyl)oxy]-1h,6h,7ah-cyclopenta[c]pyran-1-yl 3-(acetyloxy)-3-methylbutanoate
10-acetoxy-1-acevaltratehydrin
{"Ingredient_id": "HBIN000041","Ingredient_name": "10-acetoxy-1-acevaltratehydrin","Alias": "NA","Ingredient_formula": "C26H36O12","Ingredient_Smile": "CC(C)CC(=O)OC1C=C2C(C1(COC(=O)C)O)C(OC=C2COC(=O)C)OC(=O)CC(C)(C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "121","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-acetylstritosamide
{"Ingredient_id": "HBIN012613","Ingredient_name": "6-o-acetylstritosamide","Alias": "NA","Ingredient_formula": "C28H32N2O9","Ingredient_Smile": "CC=C1C2CC3C4=C(CCN3C(=O)C2=COC1OC5C(C(C(C(O5)COC(=O)C)O)O)O)C6=CC=CC=C6N4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "515","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,9,9'-trihydroxy-3,3'-dimethoxy-8-o-4'-neo-lignan-4-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN013000","Ingredient_name": "7,9,9'-trihydroxy-3,3'-dimethoxy-8-o-4'-neo-lignan-4-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C26H36O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21698","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}