Exact Mass: 562.2477
Exact Mass Matches: 562.2477
Found 450 metabolites which its exact mass value is equals to given mass value 562.2477
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Baccharinol
(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
5alpha-acetoxy-1beta-benzoyl-8alpha-cinnamoyl-4alpha-hydroxydihydroagarofuran|5??-Acetoxy-1??-benzoyl-8??-cinnamoyl-4??-hydroxy-dihydroagarofuran
(1R,2R,3R,4R,5S,7R,9S,10R)-3-acetoxy-1-benzoyloxy-9-cinnamoyloxy-2-hydroxydihydro-beta-agarofuran
(1R,2R,3R,4R,5S,7R,9S,10R)-2-acetoxy-1-benzoyloxy-9-cinnamoyloxy-3-hydroxydihydro-beta-agarofuran
(+)-Tiliacorine|ent-7,6-epoxy-6,12-dimethoxy-2(or 2)-methyl-rodiasan-12-ol|Isotiliarin|isotiliarine|nortiliacorine-A
1beta-(p-hydroxyphenylacetyl)-15-O-beta-D-glucopyranosyl-5alpha,6betaH-eudesma-3-en-12,6alpha-olide
5beta-acetoxy-1alpha-benzoyl-9beta-cinnamoyl-4beta-hydroxydihydroagarofuran
9-O-butyl-3-O-demethyl-9-O-beta-D-glucopyranosyldehydrodiconiferyl alcohol
1beta-acetoxy-2beta-benzoxy-9alpha-beta-phenyloxacyclobutanoyloxy-beta-dihydroagarofuran|9-(2,3-Epoxycinnamoyl),2-benzoyl,1,2-di-Ac-1,2,9-Trihydroxydihydro-beta-agarofuran|9-(2,3-Epoxycinnamoyl),2-butanzoyl,1-Ac-(1alpha,2alpha,9beta)-1,2,9-Trihydroxdihydro-beta-agarofuran
(5S)-1,7-bis-(3,4-dihydroxyphenyl)-5-hydroxy-3-heptanone-5-O-[2-(2-methylbutenoyl)]-beta-D-xylopyranoside|alnuside C
Ala Phe Tyr Tyr
Ala Thr Trp Trp
Ala Trp Thr Trp
Ala Trp Trp Thr
Ala Tyr Phe Tyr
Ala Tyr Tyr Phe
Asp Asp Lys Trp
Asp Asp Trp Lys
Asp Lys Asp Trp
Asp Lys Trp Asp
Asp Arg Ser Trp
Asp Arg Trp Ser
Asp Ser Arg Trp
Asp Ser Trp Arg
Asp Trp Asp Lys
Asp Trp Lys Asp
Asp Trp Arg Ser
Asp Trp Ser Arg
Glu Met Gln Arg
Glu Met Arg Gln
Glu Gln Met Arg
Glu Gln Arg Met
Glu Gln Thr Trp
Glu Gln Trp Thr
Glu Arg Met Gln
Glu Arg Gln Met
Glu Thr Gln Trp
Glu Thr Trp Gln
Glu Trp Gln Thr
Glu Trp Thr Gln
Phe Ala Tyr Tyr
Phe Phe Ser Tyr
Phe Phe Tyr Ser
Phe His Pro Tyr
Phe His Tyr Pro
Phe Asn Pro Trp
Phe Asn Trp Pro
Phe Pro His Tyr
Phe Pro Asn Trp
Phe Pro Trp Asn
Phe Pro Tyr His
Phe Ser Phe Tyr
Phe Ser Tyr Phe
Phe Trp Asn Pro
Phe Trp Pro Asn
Phe Tyr Ala Tyr
Phe Tyr Phe Ser
Phe Tyr His Pro
Phe Tyr Pro His
Phe Tyr Ser Phe
Phe Tyr Tyr Ala
His Phe Pro Tyr
His Phe Tyr Pro
His Ile Met Tyr
His Ile Tyr Met
His Leu Met Tyr
His Leu Tyr Met
His Met Ile Tyr
His Met Leu Tyr
His Met Tyr Ile
His Met Tyr Leu
His Pro Phe Tyr
His Pro Tyr Phe
His Tyr Phe Pro
His Tyr Ile Met
His Tyr Leu Met
His Tyr Met Ile
His Tyr Met Leu
His Tyr Pro Phe
Ile His Met Tyr
Ile His Tyr Met
Ile Met His Tyr
Ile Met Asn Trp
Ile Met Trp Asn
Ile Met Tyr His
Ile Asn Met Trp
Ile Asn Trp Met
Ile Trp Met Asn
Ile Trp Asn Met
Ile Tyr His Met
Ile Tyr Met His
Lys Asp Asp Trp
Lys Asp Trp Asp
Lys Trp Asp Asp
Leu His Met Tyr
Leu His Tyr Met
Leu Met His Tyr
Leu Met Asn Trp
Leu Met Trp Asn
Leu Met Tyr His
Leu Asn Met Trp
Leu Asn Trp Met
Leu Trp Met Asn
Leu Trp Asn Met
Leu Tyr His Met
Leu Tyr Met His
Met Glu Gln Arg
Met Glu Arg Gln
Met His Ile Tyr
Met His Leu Tyr
Met His Tyr Ile
Met His Tyr Leu
Met Ile His Tyr
Met Ile Asn Trp
Met Ile Trp Asn
Met Ile Tyr His
Met Leu His Tyr
Met Leu Asn Trp
Met Leu Trp Asn
Met Leu Tyr His
Met Asn Ile Trp
Met Asn Leu Trp
Met Asn Trp Ile
Met Asn Trp Leu
Met Gln Glu Arg
Met Gln Arg Glu
Met Gln Val Trp
Met Gln Trp Val
Met Arg Glu Gln
Met Arg Gln Glu
Met Val Gln Trp
Met Val Trp Gln
Met Trp Ile Asn
Met Trp Leu Asn
Met Trp Asn Ile
Met Trp Asn Leu
Met Trp Gln Val
Met Trp Val Gln
Met Tyr His Ile
Met Tyr His Leu
Met Tyr Ile His
Met Tyr Leu His
Asn Phe Pro Trp
Asn Phe Trp Pro
Asn Ile Met Trp
Asn Ile Trp Met
Asn Leu Met Trp
Asn Leu Trp Met
Asn Met Ile Trp
Asn Met Leu Trp
Asn Met Trp Ile
Asn Met Trp Leu
Asn Pro Phe Trp
Asn Pro Trp Phe
Asn Trp Phe Pro
Asn Trp Ile Met
Asn Trp Leu Met
Asn Trp Met Ile
Asn Trp Met Leu
Asn Trp Pro Phe
Pro Phe His Tyr
Pro Phe Asn Trp
Pro Phe Trp Asn
Pro Phe Tyr His
Pro His Phe Tyr
Pro His Tyr Phe
Pro Asn Phe Trp
Pro Asn Trp Phe
Pro Trp Phe Asn
Pro Trp Asn Phe
Pro Tyr Phe His
Pro Tyr His Phe
Gln Glu Met Arg
Gln Glu Arg Met
Gln Glu Thr Trp
Gln Glu Trp Thr
Gln Met Glu Arg
Gln Met Arg Glu
Gln Met Val Trp
Gln Met Trp Val
Gln Arg Glu Met
Gln Arg Met Glu
Gln Thr Glu Trp
Gln Thr Trp Glu
Gln Val Met Trp
Gln Val Trp Met
Gln Trp Glu Thr
Gln Trp Met Val
Gln Trp Thr Glu
Gln Trp Val Met
Arg Asp Ser Trp
Arg Asp Trp Ser
Arg Glu Met Gln
Arg Glu Gln Met
Arg Met Glu Gln
Arg Met Gln Glu
Arg Gln Glu Met
Arg Gln Met Glu
Arg Ser Asp Trp
Arg Ser Trp Asp
Arg Trp Asp Ser
Arg Trp Ser Asp
Ser Asp Arg Trp
Ser Asp Trp Arg
Ser Phe Phe Tyr
Ser Phe Tyr Phe
Ser Arg Asp Trp
Ser Arg Trp Asp
Ser Trp Asp Arg
Ser Trp Arg Asp
Ser Tyr Phe Phe
Thr Ala Trp Trp
Thr Glu Gln Trp
Thr Glu Trp Gln
Thr Gln Glu Trp
Thr Gln Trp Glu
Thr Trp Ala Trp
Thr Trp Glu Gln
Thr Trp Gln Glu
Thr Trp Trp Ala
Val Met Gln Trp
Val Met Trp Gln
Val Gln Met Trp
Val Gln Trp Met
Val Trp Met Gln
Val Trp Gln Met
Trp Ala Thr Trp
Trp Ala Trp Thr
Trp Asp Asp Lys
Trp Asp Lys Asp
Trp Asp Arg Ser
Trp Asp Ser Arg
Trp Glu Gln Thr
Trp Glu Thr Gln
Trp Phe Asn Pro
Trp Phe Pro Asn
Trp Ile Met Asn
Trp Ile Asn Met
Trp Lys Asp Asp
Trp Leu Met Asn
Trp Leu Asn Met
Trp Met Ile Asn
Trp Met Leu Asn
Trp Met Asn Ile
Trp Met Asn Leu
Trp Met Gln Val
Trp Met Val Gln
Trp Asn Phe Pro
Trp Asn Ile Met
Trp Asn Leu Met
Trp Asn Met Ile
Trp Asn Met Leu
Trp Asn Pro Phe
Trp Pro Phe Asn
Trp Pro Asn Phe
Trp Gln Glu Thr
Trp Gln Met Val
Trp Gln Thr Glu
Trp Gln Val Met
Trp Arg Asp Ser
Trp Arg Ser Asp
Trp Ser Asp Arg
Trp Ser Arg Asp
Trp Thr Ala Trp
Trp Thr Glu Gln
Trp Thr Gln Glu
Trp Thr Trp Ala
Trp Val Met Gln
Trp Val Gln Met
Trp Trp Ala Thr
Trp Trp Thr Ala
Tyr Ala Phe Tyr
Tyr Ala Tyr Phe
Tyr Phe Ala Tyr
Tyr Phe Phe Ser
Tyr Phe His Pro
Tyr Phe Pro His
Tyr Phe Ser Phe
Tyr Phe Tyr Ala
Tyr His Phe Pro
Tyr His Ile Met
Tyr His Leu Met
Tyr His Met Ile
Tyr His Met Leu
Tyr His Pro Phe
Tyr Ile His Met
Tyr Ile Met His
Tyr Leu His Met
Tyr Leu Met His
Tyr Met His Ile
Tyr Met His Leu
Tyr Met Ile His
Tyr Met Leu His
Tyr Pro Phe His
Tyr Pro His Phe
Tyr Ser Phe Phe
Tyr Tyr Ala Phe
Tyr Tyr Phe Ala
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
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
(2R)-4-[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
(2S)-4-[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
(2S)-4-[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
(2R)-4-[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
(2R)-4-[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
(2R)-4-[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
(2R)-4-[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
(2S)-4-[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
(2S)-4-[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
(2R)-4-[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
(2S)-4-[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
(2S)-4-[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
(2S)-4-[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
(2R)-4-[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
(2R)-4-[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
(2S)-4-[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
Coelichelin(3-)
A hydroxamic acid anion obtained by deprotonation of the three hydroxamic acid groups of coelichelin.
SCH529074
SCH529074 is a potent and orally active p53 activator. SCH529074 binds specifically and conformation-dependently to p53 DBD ( DNA binding domain) with a Ki of 1-2 μM in a saturable manner. SCH529074 restores mutant p53 function and interrupts HDM2-mediated ubiquitination of wild Type p53. SCH529074 can be used for the study of non-small-cell lung carcinoma (NSCLC)[1][2].
(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
(8s,21r)-13,16-dimethoxy-7-methyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1⁴,³⁰.1¹⁰,¹⁴.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]hexatriaconta-1,3,10,12,14(36),15(35),16,18,25,27,30(34),32-dodecaen-27-ol
2-hydroxy-3-[(hydroxymethylidene)amino]-n-[(6s,7r)-7,10,10-trimethyl-12-(2-methylpropyl)-2,5,9,11-tetraoxo-3-(sec-butyl)-1,4,8-trioxacyclododecan-6-yl]benzenecarboximidic acid
(8s,21s)-27-methoxy-7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,10,12,14(37),16,18,25(33),26,28(32),30(34),35-dodecaen-13-ol
(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
(8s,21r)-13,27-dimethoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,10,12,14(37),16,18,25(33),26,28(32),30(34),35-dodecaene
(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
5-(acetyloxy)-4-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl 3-phenyloxirane-2-carboxylate
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
methyl 2-[(1r,2s,8s,9r,10s,12r,13s,14s,17s,19r,20s,21r,23z)-9-[(acetyloxy)methyl]-21-hydroxy-5,13,20-trimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-23-ylidene]propanoate
12-(acetyloxy)-2-hydroxy-2,6,10,10-tetramethyl-5-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
5α-acetoxy-1β-benzoyl-8α-cinnamoyl-4α-hy-droxy-dihydroagarofuran
{"Ingredient_id": "HBIN011402","Ingredient_name": "5\u03b1-acetoxy-1\u03b2-benzoyl-8\u03b1-cinnamoyl-4\u03b1-hy-droxy-dihydroagarofuran","Alias": "NA","Ingredient_formula": "C33H38O8","Ingredient_Smile": "CC(=O)OC1C2CC(C3(C1(C(CCC3OC(=O)C=CC4=CC=CC=C4)(C)O)OC2(C)C)C)OC(=O)C5=CC=CC=C5","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "130","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alnuside c
{"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
{"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"}