Exact Mass: 457.1195
Exact Mass Matches: 457.1195
Found 109 metabolites which its exact mass value is equals to given mass value 457.1195,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Amygdaloside
Amygdalin is found in almond. Bitter glycoside of the Rosaceae, found especially in kernels of cherries, peaches and apricots. Amygdalin is present in cold pressed bitter almond oil from the above sources prior to enzymic hydolysis and steam distillation for food use Amygdalin , C20H27NO11, is a glycoside initially isolated from the seeds of the tree Prunus dulcis, also known as bitter almonds, by Pierre-Jean Robiquet and A. F. Boutron-Charlard in 1803, and subsequently investigated by Liebig and Wohler in 1830, and others. Several other related species in the genus of Prunus, including apricot (Prunus armeniaca) and black cherry (Prunus serotina), also contain amygdalin. It was promoted as a cancer cure by Ernst T. Krebs under the name "Vitamin B17", but studies have found it to be ineffective. Amygdalin is sometimes confounded with laevomandelonitrile, also called laetrile for short; however, amygdalin and laetrile are different chemical compounds (R)-amygdalin is an amygdalin in which the stereocentre on the cyanohydrin function has R-configuration. It has a role as a plant metabolite, an apoptosis inducer and an antineoplastic agent. It is functionally related to a (R)-mandelonitrile. D-Amygdalin is a natural product found in Prunus spinosa, Gerbera jamesonii, and other organisms with data available. Amygdalin is a cyanogenic glucoside isolated from almonds and seeds of other plants of the family Rosaceae. Amygdalin is converted by plant emulsin (a combination of a glucosidase and a nitrilase) or hydrochloric acid into benzaldehyde, D-glucose, and hydrocyanic acid. (NCI04) A cyanogenic glycoside found in the seeds of Rosaceae. Amygdalin is a bitter glycoside of the Rosaceae, found in sources such as kernels of cherries, peaches and apricots. Present in cold pressed bitter almond oil from the these sources prior to enzymic hydolysis and steam distillation for food use. Amygdalin can also be found in passion fruit. C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C29724 - Cyanoglycoside Agent D000970 - Antineoplastic Agents C1907 - Drug, Natural Product Amygdalin is a plant glucoside isolated from the stones of rosaceous fruits, such as apricots, peaches, almond, cherries, and plums. Amygdalin is a plant glucoside isolated from the stones of rosaceous fruits, such as apricots, peaches, almond, cherries, and plums.
1-(8-amino-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-1-deoxy-5-O-phosphono-D-ribitol
Evotopin
Topotecan Hydrochloride is the hydrochloride salt of a semisynthetic derivative of camptothecin with antineoplastic activity. During the S phase of the cell cycle, topotecan selectively stabilizes topoisomerase I-DNA covalent complexes, inhibiting religation of topoisomerase I-mediated single-strand DNA breaks and producing potentially lethal double-strand DNA breaks when complexes are encountered by the DNA replication machinery. Camptothecin is a cytotoxic quinoline-based alkaloid extracted from the Asian tree Camptotheca acuminata. An antineoplastic agent used to treat ovarian cancer. It works by inhibiting DNA TOPOISOMERASES, TYPE I. See also: Topotecan (has active moiety). C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor D004791 - Enzyme Inhibitors Topotecan Hydrochloride (SKF 104864A Hydrochloride) is a Topoisomerase I inhibitor with potent antineoplastic activities. Topotecan Hydrochloride (SKF 104864A Hydrochloride) is a Topoisomerase I inhibitor with potent antineoplastic activities.
Mandelonitrile sophoroside
Mandelonitrile sophoroside is isolated from leaves of perilla (Perilla frutescens var. acuta). Isolated from leaves of perilla (Perilla frutescens variety acuta)
N-(4-(2,5-Dihydro-5-oxo-3-furanyl)phenyl)-4-(beta-D-glucopyranosyloxy)benzamide
Bisindolylmaleimide IX
6-Oxocamphor
6-oxocamphor, also known as topotecan or hycamtin, is a member of the class of compounds known as camptothecins. Camptothecins are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring). 6-oxocamphor can be found in common sage, which makes 6-oxocamphor a potential biomarker for the consumption of this food product. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor D004791 - Enzyme Inhibitors Topotecan Hydrochloride (SKF 104864A Hydrochloride) is a Topoisomerase I inhibitor with potent antineoplastic activities. Topotecan Hydrochloride (SKF 104864A Hydrochloride) is a Topoisomerase I inhibitor with potent antineoplastic activities.
2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)acetonitrile
aristolactam Ia N-beta-D-glucopyranoside|aristolactam Ia N-beta-D-glucoside
1,4-Lactone,tri-N-benzoyl-(2S,3S,4R)-2,3,5-Triamino-4-hydroxypentanoic acid
4-hydroxyphenylacetonitrile 4-O-beta-D-glucopyranosyl(1->6)-beta-D-glucopyranoside|adenophoraside D
Amygdalin
D000970 - Antineoplastic Agents (R)-amygdalin is an amygdalin in which the stereocentre on the cyanohydrin function has R-configuration. It has a role as a plant metabolite, an apoptosis inducer and an antineoplastic agent. It is functionally related to a (R)-mandelonitrile. D-Amygdalin is a natural product found in Prunus spinosa, Gerbera jamesonii, and other organisms with data available. Amygdalin is a cyanogenic glucoside isolated from almonds and seeds of other plants of the family Rosaceae. Amygdalin is converted by plant emulsin (a combination of a glucosidase and a nitrilase) or hydrochloric acid into benzaldehyde, D-glucose, and hydrocyanic acid. (NCI04) A cyanogenic glycoside found in the seeds of Rosaceae. C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C29724 - Cyanoglycoside Agent An amygdalin in which the stereocentre on the cyanohydrin function has R-configuration. C1907 - Drug, Natural Product Origin: Plant; Formula(Parent): C20H27NO11; Bottle Name:Amygdalin; PRIME Parent Name:Amygdalin; PRIME in-house No.:V0293, Glycosides, Nitriles Annotation level-1 Neoamygdalin is a natural product found in Prunus virginiana, Prunus serotina, and other organisms with data available. Amygdalin is a cyanogenic glucoside isolated from almonds and seeds of other plants of the family Rosaceae. Amygdalin is converted by plant emulsin (a combination of a glucosidase and a nitrilase) or hydrochloric acid into benzaldehyde, D-glucose, and hydrocyanic acid. (NCI04) A cyanogenic glycoside found in the seeds of Rosaceae. Amygdalin is a plant glucoside isolated from the stones of rosaceous fruits, such as apricots, peaches, almond, cherries, and plums. Amygdalin is a plant glucoside isolated from the stones of rosaceous fruits, such as apricots, peaches, almond, cherries, and plums. Neoamygdalin is a compound identified in the different processed bitter almonds. Neoamygdalin has the potential for the research of cough and asthma[1].
SC-51322
ro 31-8220
Topotecan Hcl
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor D004791 - Enzyme Inhibitors Topotecan Hydrochloride (SKF 104864A Hydrochloride) is a Topoisomerase I inhibitor with potent antineoplastic activities. Topotecan Hydrochloride (SKF 104864A Hydrochloride) is a Topoisomerase I inhibitor with potent antineoplastic activities.
C20H27NO11_{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}(4-hydroxyphenyl)acetonitrile
C20H27NO11_(2S)-{[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}(phenyl)acetonitrile
Ingliforib
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4226; ORIGINAL_PRECURSOR_SCAN_NO 4224 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4688; ORIGINAL_PRECURSOR_SCAN_NO 4686 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4213; ORIGINAL_PRECURSOR_SCAN_NO 4211 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4706; ORIGINAL_PRECURSOR_SCAN_NO 4704 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4782; ORIGINAL_PRECURSOR_SCAN_NO 4781 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4692; ORIGINAL_PRECURSOR_SCAN_NO 4691 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9076; ORIGINAL_PRECURSOR_SCAN_NO 9074 INTERNAL_ID 310; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9076; ORIGINAL_PRECURSOR_SCAN_NO 9074 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9039; ORIGINAL_PRECURSOR_SCAN_NO 9036 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9056; ORIGINAL_PRECURSOR_SCAN_NO 9053 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9133; ORIGINAL_PRECURSOR_SCAN_NO 9130 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9091; ORIGINAL_PRECURSOR_SCAN_NO 9086 CONFIDENCE standard compound; INTERNAL_ID 310; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9148; ORIGINAL_PRECURSOR_SCAN_NO 9144
2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)acetonitrile_major
Mandelonitrile sophoroside
{[2-O-(6-Deoxy-?-L-mannopyranosyl)-?-D-glucopyranosyl]oxy}(4-hydroxyphenyl)acetonitrile
ammonium pentaborate octahydrate
B5H20NO23-------------- (457.0891)
6-nitrooxyhexyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
Methyl-[E]-2-[3(S)-[3-[2-(7-chloro-2-quinolinyl)-ethenyl]-phenyl] -3-hydroxy propyl]-benzoate
Methyl 2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate
[4-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)carbamoyl]phenyl] benzoate
3-[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-phenyl-1H-1,2,4-triazole-5-thione
4-CHLOROPHENYL 2-ACETAMIDO-3,4,6-TETRA-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
10-Phenyl-10H-spiro[acridine-9,9-fluorene]-2,7-dicarbonitrile
ethyl 3,4-dihydro-<<5-(methylsulfonyl)benzothiazol-2-yl>methyl>-4-oxo-1-phthalazineacetate
1H-Indol-3-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
5-[5,6-Bis(Methyloxy)-1h-Benzimidazol-1-Yl]-3-{[1-(2-Chlorophenyl)ethyl]oxy}-2-Thiophenecarboxamide
5-(5-Chloro-2,4-Dihydroxyphenyl)-N-Ethyl-4-[4-(Morpholin-4-Ylmethyl)phenyl]isoxazole-3-Carboxamide
Bisindolylmaleimide IX
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D004791 - Enzyme Inhibitors
N-[5-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide
(2R)-1-{4-[(4-Anilino-5-bromopyrimidin-2-YL)amino]phenoxy}-3-(dimethylamino)propan-2-OL
(2S)-1-{4-[(4-Anilino-5-bromopyrimidin-2-YL)amino]phenoxy}-3-(dimethylamino)propan-2-OL
3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
D004791 - Enzyme Inhibitors
alisiaquninone C
An organic heterohexacyclic compound that is isolated from New Caledonian deep water sponge and exhibits antiplasmodial properties.
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
6-(1-azepanylsulfonyl)-1-ethyl-N-(2-furanylmethyl)-4-oxo-3-quinolinecarboxamide
2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-{[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2-pyridinylmethyl)acetamide
N-[3-chloro-4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]phenyl]-2-(4-chlorophenyl)acetamide
ethyl 4-(1,3-benzodioxol-5-yl)-6-[[2-(4-chlorophenyl)ethylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
2,5-Dimethyl-4-[[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thio]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2,3-dihydroxy-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
(6E)-5-imino-6-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1,3-dihydroxy-1-phenylpropan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
Foliglurax (monohydrochloride)
Foliglurax monohydrochloride (PXT002331 monohydrochloride) is a highly selective and potent, brain-penetrant metabotropic glutamate receptor 4 positive allosteric modulator (mGluR4 PAM) , with an EC50 of 79 nM[1]. Antiparkinsonian effect[1].
(2r,3r,4s,5r,6r)-2-{12-hydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaen-3-yl}-6-methyloxane-3,4,5-triol
(1s,2r,14r,15s)-4-methoxy-16,16,25-trimethyl-8,12,17-trioxa-25-azaheptacyclo[13.12.0.0²,¹⁴.0³,¹¹.0⁵,⁹.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3(11),4,6,9,18(27),19,21,23-octaene-13,26-dione
n-[10,10-dichloro-2-(6,6-dichlorohexyl)-1-methoxy-1-oxodec-9-en-7-yn-3-yl]ethanimidic acid
n-[2,6-dihydroxy-3-(sulfanylcarbonyl)phenyl]-3-[(1s,5s,6r,7s,9s,10s)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1⁷,¹⁰.0¹,⁶]tridec-2-en-5-yl]propanimidic acid
aristolactam aiiian-β-d-glucoside
{"Ingredient_id": "HBIN016763","Ingredient_name": "aristolactam aiiian-\u03b2-d-glucoside","Alias": "NA","Ingredient_formula": "C22H19NO10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1694","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
