Exact Mass: 542.2417
Exact Mass Matches: 542.2417
Found 229 metabolites which its exact mass value is equals to given mass value 542.2417
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Physagulin C
Constituent of the famine food Physalis angulata (cutleaf ground cherry). Physagulin C is found in herbs and spices and fruits. Physagulin C is found in fruits. Physagulin C is a constituent of the famine food Physalis angulata (cutleaf ground cherry).
Cinncassiol C1 19-glucoside
Cinncassiol C1 19-glucoside is found in herbs and spices. Cinncassiol C1 19-glucoside is a constituent of Cinnamomum cassia (Chinese cinnamon) Constituent of Cinnamomum cassia (Chinese cinnamon). Cinncassiol C1 19-glucoside is found in herbs and spices.
Chembl4569322
2alpha-angeloyloxy-3alpha-(2-methylbutyryloxy)-3,4-betaH-bacchotricuneatin|2alpha-angeloyloxy-3alpha-<2-methylbutyryloxy>-3,4-betaH-bacchotricuneatin
7alpha,12alpha-diacetoxy-14beta,15beta-epoxy-11beta-hydroxyneotecleanin|7??,12??-Diacetoxy-14??,15??-epoxy-11??-hydroxyneotecleanin
1beta,2beta,8beta-triacetoxy-9beta-cinnamoyloxy-beta-dihydroagarofuran
1beta,2beta,6alpha-triacetoxy-9alpha-cinnamoyloxy-beta-dihydroagarofuran
10-O-[(2E,6R)-8-hydroxy-2,6-dimethyl-1-oxooct-2-en-1-yl]geniposidic acid|rel-(1R,4aR,7aR)-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-{{[(2E,6R)-8-hydroxy-2,6-dimethyl-1-oxooct-2-en-1-yl]oxy}methyl}cyclopenta[c]pyran-4-carboxylic acid|scyphiphorin B
C26H38O12_7-Hydroxy-1-({2-O-[(2E,6E)-8-hydroxy-2,6-dimethyl-2,6-octadienoyl]-beta-D-glucopyranosyl}oxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
(1R,7S,8E,9S,14S,15S,17R)-8-ethylidene-15-(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]heptadec-4-ene-3,11-dione
(1R,7S,8E,9S,14S,15S,17R)-8-ethylidene-15-(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]heptadec-4-ene-3,11-dione_major
Cys His Gln Arg
Cys His Arg Gln
Cys Gln His Arg
Cys Gln Arg His
Cys Arg His Gln
Cys Arg Gln His
Asp Phe Val Tyr
Asp Phe Tyr Val
Asp Val Phe Tyr
Asp Val Tyr Phe
Asp Tyr Phe Val
Asp Tyr Val Phe
Glu Phe Phe Thr
Glu Phe Thr Phe
Glu Thr Phe Phe
Phe Asp Val Tyr
Phe Asp Tyr Val
Phe Glu Phe Thr
Phe Glu Thr Phe
Phe Phe Glu Thr
Phe Phe Thr Glu
Phe Thr Glu Phe
Phe Thr Phe Glu
Phe Val Asp Tyr
Phe Val Tyr Asp
Phe Tyr Asp Val
Phe Tyr Val Asp
His Cys Gln Arg
His Cys Arg Gln
His Gln Cys Arg
His Gln Arg Cys
His Arg Cys Gln
His Arg Gln Cys
Pro Thr Tyr Tyr
Pro Tyr Thr Tyr
Pro Tyr Tyr Thr
Gln Cys His Arg
Gln Cys Arg His
Gln His Cys Arg
Gln His Arg Cys
Gln Arg Cys His
Gln Arg His Cys
Arg Cys His Gln
Arg Cys Gln His
Arg His Cys Gln
Arg His Gln Cys
Arg Gln Cys His
Arg Gln His Cys
Thr Glu Phe Phe
Thr Phe Glu Phe
Thr Phe Phe Glu
Thr Pro Tyr Tyr
Thr Tyr Pro Tyr
Thr Tyr Tyr Pro
Val Asp Phe Tyr
Val Asp Tyr Phe
Val Phe Asp Tyr
Val Phe Tyr Asp
Val Tyr Asp Phe
Val Tyr Phe Asp
Tyr Asp Phe Val
Tyr Asp Val Phe
Tyr Phe Asp Val
Tyr Phe Val Asp
Tyr Pro Thr Tyr
Tyr Pro Tyr Thr
Tyr Thr Pro Tyr
Tyr Thr Tyr Pro
Tyr Val Asp Phe
Tyr Val Phe Asp
Tyr Tyr Pro Thr
Tyr Tyr Thr Pro
Cinncassiol C1 19-glucoside
Physagulin C
Nicansteroidin C
Physagulin F
Ethyl 5,8-bis(benzyloxy)-4-{[dimethyl(2-methyl-2-propanyl)silyl]o xy}-2-naphthoate
(2S,3R,4S,5R,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
2,3,4,6-tetra-o-benzyl-alpha-d-glucopyranosyl fluoride
2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL FLUORIDE
8-Ethylidene-15-(1-hydroxypropan-2-yl)-17-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadec-4-ene-3,11-dione
N-[3-(Dimethylamino)propyl]-2-({[4-({[4-(formylamino)-1-methyl-1H-pyrrol-2-YL]carbonyl}amino)-1-methyl-1H-pyrrol-2-YL]carbonyl}amino)-5-isopropyl-1,3-thiazole-4-carboxamide
N-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
8-[1-(1,3-Benzodioxol-5-yl)-3-(4-phenyl-1-piperazinyl)propyl]-5,7-dimethoxy-4-methyl-1-benzopyran-2-one
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
4-[[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
4-[[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
1-O-[(6Z,9R,10E,12E,14Z,16S)-19-carboxy-9,16-dihydroxynonadeca-6,10,12,14-tetraenoyl]-beta-D-glucopyranuronic acid
(1R,7S,8E,9S,14S,15S,17R)-8-ethylidene-15-(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]heptadec-4-ene-3,11-dione
[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (Z)-tetradec-9-enoate
1-(9Z-tetradecenoyl)-glycero-3-phospho-(1-myo-inositol)
Atrasentan
Atrasentan (ABT-627) is an endothelin receptor antagonist with IC50 of 0.0551 nM for ETA[1].
MARK4 inhibitor 2
MARK4 inhibitor 2 is an inhibitor of microtubule affinity-regulating kinase 4 (MARK4) with an Km of 6.3×10 7 and an IC50 of 0.82 μM. MARK4 inhibitor 2 inhibits the growth of human cells and can be used for cancer research[1].
4-(acetyloxy)-11-hydroxy-1-(2-hydroxy-5-oxo-2h-furan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-10-yl acetate
(5s,6r,9s,10s,15s,16e,17s)-16-ethylidene-6-hydroxy-5,9-dimethyl-17-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,12,18-trioxatricyclo[13.4.0.0⁶,¹⁰]nonadec-1(19)-ene-2,13-dione
1-[(1s,2s,5r,6r)-5-(2h-1,3-benzodioxol-5-yl)-6-[(1e)-2-(2h-1,3-benzodioxol-5-yl)ethenyl]-2-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carbonyl]pyrrolidine
(10-{6-[(acetyloxy)methyl]-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl}-6-(furan-3-yl)-7,11-dimethyl-4-oxo-2,5-dioxatricyclo[5.4.0.0¹,³]undecan-11-yl)methyl acetate
4-formyl-4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-7-yl 8-hydroxy-2,6-dimethylocta-2,6-dienoate
(1s,4s,5r,6r,7s,11r,16s,17s,18r,19r)-5,16,17-trihydroxy-6,14,18-trimethyl-4-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-13-en-9-one
(5r,6s,7as)-5-(3-{[(2r,3r,4s,5r,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}prop-1-en-2-yl)-6-ethenyl-3,6-dimethyl-4,5,7,7a-tetrahydro-1-benzofuran-2-one
4-{[(1r,2s,4r,5r,6r,7r,10s,11s,14s,16r)-5-(acetyloxy)-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-14-yl]oxy}-4-oxobutanoic acid
(1s,2r,4s,5r,6r,7s,9r,12r)-4,5,12-tris(acetyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl (2e)-3-phenylprop-2-enoate
(2r,3r,4s,5s,6r)-2-{[(4e,12e)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol
methyl 8,15-bis(acetyloxy)-4,5,7,10,14,14-hexamethyl-6,18-dioxo-19-oxapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadeca-3,7-diene-9-carboxylate
6alpha-Acetoxy-5-epilimonin
{"Ingredient_id": "HBIN012193","Ingredient_name": "6alpha-Acetoxy-5-epilimonin","Alias": "6\u03b1-acetoxy-5-epilimonin; 6alpha-acetoxy-5-epilimonin","Ingredient_formula": "C30H38O9","Ingredient_Smile": "CC1C(=O)OC(C2(C1(C3(C(CC2)C45COC(=O)CC4OC(C5C(C3=O)OC(=O)C)(C)C)C)C)C)C6=COC=C6","Ingredient_weight": "542.68","OB_score": "12.7362038","CAS_id": "NA","SymMap_id": "SMIT01070;SMIT14120","TCMID_id": "25403;179","TCMSP_id": "MOL004005","TCM_ID_id": "19335","PubChem_id": "NA","DrugBank_id": "NA"}
6β-acetoxy-5-epilimonin
{"Ingredient_id": "HBIN012250","Ingredient_name": "6\u03b2-acetoxy-5-epilimonin","Alias": "6beta-acetoxy-5-epilimonin","Ingredient_formula": "C30H38O9","Ingredient_Smile": "CC1C(=O)OC(C2(C1(C3(C(CC2)C45COC(=O)CC4OC(C5C(C3=O)OC(=O)C)(C)C)C)C)C)C6=COC=C6","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14121;SMIT18854","TCMID_id": "25402;180","TCMSP_id": "NA","TCM_ID_id": "19336","PubChem_id": "NA","DrugBank_id": "NA"}
agnucastoside a
{"Ingredient_id": "HBIN014873","Ingredient_name": "agnucastoside a","Alias": "NA","Ingredient_formula": "C26H38O12","Ingredient_Smile": "CC(=CCO)CCC=C(C)C(=O)OCC1C(C(C(C(O1)OC2C3C(CCC3(C)O)C(=CO2)C(=O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "750","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}