Exact Mass: 459.12469980000003
Exact Mass Matches: 459.12469980000003
Found 153 metabolites which its exact mass value is equals to given mass value 459.12469980000003
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Doronine
C21H30ClNO8 (459.16598500000003)
Narceinone
Narceinone is found in opium poppy. Narceinone is an alkaloid from unlanced dried capsules of Papaver somniferum (opium poppy). Alkaloid from unlanced dried capsules of Papaver somniferum (opium poppy). Narceinone is found in opium poppy.
1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate
Trace metabolite of corn. 1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate is found in cereals and cereal products. 1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate is found in cereals and cereal products. Trace metabolite of corn.
4-Methylumbelliferyl-6-sulfo-2-acetamido-2-deoxy-beta-glucopyranoside
Analogue A
C23H23Cl2N3O3 (459.11163880000004)
Fenoverine
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
Lilly 117018
C27H25NO4S (459.15042100000005)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists
Mivebresib
C22H19F2N3O4S (459.10642780000006)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
4-hydroxy-2-nonenal-glutathione conjugate
C19H29N3O8S (459.16752740000004)
4-hydroxy-2-nonenal-glutathione conjugate is a member of the class of compounds known as oligopeptides. Oligopeptides are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. 4-hydroxy-2-nonenal-glutathione conjugate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 4-hydroxy-2-nonenal-glutathione conjugate can be found in a number of food items such as vanilla, kale, beech nut, and summer grape, which makes 4-hydroxy-2-nonenal-glutathione conjugate a potential biomarker for the consumption of these food products.
6-hydroxy-galanthindole 6-O-beta-D-glucopyranoside|6-hydroxy-galanthindolyloside A
2-Deoxydadenosine,9CI,8CI-3,5-dibenzoyl
C24H21N5O5 (459.15426160000004)
Cys His Asn Ser
Cys His Ser Asn
Cys Asn His Ser
Cys Asn Ser His
Cys Ser His Asn
Cys Ser Asn His
Asp Asp Asn Pro
C17H25N5O10 (459.16013499999997)
Asp Asp Pro Asn
C17H25N5O10 (459.16013499999997)
Asp Asn Asp Pro
C17H25N5O10 (459.16013499999997)
Asp Asn Pro Asp
C17H25N5O10 (459.16013499999997)
Asp Pro Asp Asn
C17H25N5O10 (459.16013499999997)
Asp Pro Asn Asp
C17H25N5O10 (459.16013499999997)
His Cys Asn Ser
His Cys Ser Asn
His Asn Cys Ser
His Asn Ser Cys
His Ser Cys Asn
His Ser Asn Cys
Asn Cys His Ser
Asn Cys Ser His
Asn Asp Asp Pro
C17H25N5O10 (459.16013499999997)
Asn Asp Pro Asp
C17H25N5O10 (459.16013499999997)
Asn His Cys Ser
Asn His Ser Cys
Asn Pro Asp Asp
C17H25N5O10 (459.16013499999997)
Asn Ser Cys His
Asn Ser His Cys
Pro Asp Asp Asn
C17H25N5O10 (459.16013499999997)
Pro Asp Asn Asp
C17H25N5O10 (459.16013499999997)
Pro Asn Asp Asp
C17H25N5O10 (459.16013499999997)
Ser Cys His Asn
Ser Cys Asn His
Ser His Cys Asn
Ser His Asn Cys
Ser Asn Cys His
Ser Asn His Cys
Phe-Trp-OH
C25H21N3O6 (459.14302860000004)
1-(2-Hydroxyphenylamino)-1-deoxy-b-D-gentiobioside 1,2-carbamate
Narceinone
5-Methyl-7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
C22H20F3N5O3 (459.1518166000001)
2-Propanol,1-[(6-chloro-2-methoxy-9-acridinyl)amino]-3-(diethylamino)-, hydrochloride(1:2)
C21H28Cl3N3O2 (459.12469980000003)
(2E,5E)-3-benzyl-2-(4-methoxy phenylimino)-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)thiazolidin-4-one
METHYL 3-(3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-HYDROXY-1H-INDOL-2-YL)-2,2-DIMETHYLPROPANOATE
C25H30ClNO3S (459.16348200000004)
[4-(2,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamoyl]phenyl] benzoate
C27H19F2NO4 (459.12820780000004)
(+/-)-n,n-dimethyl-1-(2-diphenylphosphino)ferrocenylethylamine monohydrate
ETHYL 3-(3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-METHOXY-1H-INDOL-2-YL)-2,2-DIMETHYLPROPANOATE
C25H30ClNO3S (459.16348200000004)
Flurazepam hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
AZD-3759
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Pavinetant
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C142789 - Neurokinin-3 Receptor Antagonist Pavinetant (MLE-4901) is a neurokinin-3 receptor (NK3R) antagonist.
Nitrocycline
C21H21N3O9 (459.12777360000007)
C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
4-methyl-N-[2-[(5-oxo-2,3-dihydrothiazolo[2,3-b]quinazolin-3-yl)methylthio]phenyl]benzamide
Fenoverine
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
Mivebresib
C22H19F2N3O4S (459.10642780000006)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
wogonin 7-O-beta-D-glucuronate
C22H19O11- (459.09273240000005)
The monocarboxylic acid anion that is the conjugate base of wogonin 7-O-beta-D-glucuronide.
oroxylin A 7-O-beta-D-glucuronate
C22H19O11- (459.09273240000005)
The monocarboxylic acid anion that is the conjugate base of oroxylin A 7-O-beta-D-glucuronide.
5-chloro-N-[3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
C23H23Cl2N3O3 (459.11163880000004)
(6R,7R)-3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(4-propan-2-ylphenyl)-4-quinolinyl]methanone
(Z)-4-(1,3-benzothiazol-2-yl)-5-[4-(N-methylanilino)-3-nitrophenyl]-4-pentenoic acid
C25H21N3O4S (459.1252706000001)
N-{2-[4-(4-chlorobenzoyl)-1-piperazinyl]phenyl}-1-benzofuran-2-carboxamide
N-(3-methoxyphenyl)-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]-2-phenylacetamide
3-(4-Butyl-3-oxo-2-quinoxalinyl)propanoic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester
C23H23ClFN3O4 (459.13610400000005)
4-[(2-Methoxyphenyl)-methylsulfamoyl]benzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester
C21H21N3O7S (459.11001560000005)
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-bromophenyl)methylidene]-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
(E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one
C23H26FN3O4S (459.1627968000001)
(6R,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C21H22BrN3O4 (459.07935920000006)
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl(1,3-thiazol-2-ylmethyl)amino]butyl]benzenesulfonamide
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl(1,3-thiazol-2-ylmethyl)amino]butyl]benzenesulfonamide
4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide
(6R,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C21H22BrN3O4 (459.07935920000006)
(6S,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C21H22BrN3O4 (459.07935920000006)
(6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C21H22BrN3O4 (459.07935920000006)
(6R,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C21H22BrN3O4 (459.07935920000006)
4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3R)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide
4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide
(6S,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C21H22BrN3O4 (459.07935920000006)
(6S,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C21H22BrN3O4 (459.07935920000006)
(6R,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C21H22BrN3O4 (459.07935920000006)
(5-fluoro-2,4-dioxo-1H-pyrimidin-6-yl) 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate
(S)-2-(4-Chlorophenyl)-2-Pyridin-3-Yl-1-[4-[4-(Trifluoromethyl)phenyl]piperazin-1-Yl]ethanone
C24H21ClF3N3O (459.13251620000005)
Lilly 117018
C27H25NO4S (459.15042100000005)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists
1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate
KG5
C20H16F3N7OS (459.10890820000003)
KG5 is an orally active dual PDGFRβ and B-Raf allosteric inhibitor. KG5 also inhibits Flt3, KIT and c-Raf. KG5 has anticancer, antiangiogenic activities[1].
(4r,5s,6r)-4,5-dihydroxy-6-[(s)-[(3s,4r,5r)-4-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)-3-methoxyoxolan-2-yl](c-hydroxycarbonimidoyl)methoxy]-5,6-dihydro-4h-pyran-2-carboxylic acid
C17H21N3O12 (459.11251860000004)
12-(3,4-dihydroxyphenyl)-7,8,16,17-tetrahydroxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-5,7,9,12,14,16,18,20-octaen-3-one
(4s,5s,6s)-4,5-dihydroxy-6-[(r)-[(2s,3s,4r,5r)-4-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)-3-methoxyoxolan-2-yl](c-hydroxycarbonimidoyl)methoxy]-5,6-dihydro-4h-pyran-2-carboxylic acid
C17H21N3O12 (459.11251860000004)
1-(2-hydroxyphenylamino)-1-deoxy-β-gentio-bioside 1,2-carbamate
{"Ingredient_id": "HBIN000886","Ingredient_name": "1-(2-hydroxyphenylamino)-1-deoxy-\u03b2-gentio-bioside 1,2-carbamate","Alias": "NA","Ingredient_formula": "C19H25NO12","Ingredient_Smile": "C1=CC=C(C(=C1)N2C3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)OC2=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10608","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-(1-chloroethyl)-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate
C21H30ClNO8 (459.16598500000003)
(3r,4ar,12bs)-3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-3-[(1r,2r)-1-methylaziridin-2-yl]-2,4,4a,5-tetrahydrotetraphene-1,6-dione
4,11,24,25-tetrahydroxy-25-(1-hydroxyethyl)-16-azahexacyclo[15.7.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0¹⁸,²³]pentacosa-2(15),3,5(14),7,9,11,18,20,22-nonaene-6,13-dione
C26H21NO7 (459.13179560000003)
(1r,4s,6r,7r,11z)-4-[(1r)-1-chloroethyl]-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate
C21H30ClNO8 (459.16598500000003)
(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-(1h-pyrrole-2-carbonyloxy)-6-[(1h-pyrrole-2-carbonyloxy)methyl]oxan-2-yl 1h-pyrrole-2-carboxylate
C21H21N3O9 (459.12777360000007)
(1r,17s,24s,25r)-4,11,24,25-tetrahydroxy-25-[(1r)-1-hydroxyethyl]-16-azahexacyclo[15.7.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0¹⁸,²³]pentacosa-2(15),3,5(14),7,9,11,18,20,22-nonaene-6,13-dione
C26H21NO7 (459.13179560000003)
(2r,3s,5s,6s)-6-{[(3s,3ar)-7-chloro-5-(cyanomethyl)-3-hydroxy-3h-cyclopenta[a]inden-3a-yl]oxy}-5-hydroxy-2,3-dimethyl-4-oxooxan-3-yl acetate
C23H22ClNO7 (459.10847320000005)
(1r,4s,6r,7r,11z)-4-[(1s)-1-chloroethyl]-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate
C21H30ClNO8 (459.16598500000003)
(2s)-n-{[(2r,3s,4r,5r)-5-(6-amino-8-hydroxypurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}pyrrolidine-2-carboximidic acid
(1r,4r,6r,7r)-4-[(1r)-1-chloroethyl]-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate
C21H30ClNO8 (459.16598500000003)