Exact Mass: 457.16376280000003
Exact Mass Matches: 457.16376280000003
Found 87 metabolites which its exact mass value is equals to given mass value 457.16376280000003,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Amygdaloside
C20H27NO11 (457.15840320000007)
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.
5,10-Methylene-THF
5,10-Methylene-THF is an intermediate in glycine, serine and threonine metabolism and one carbon metabolism. 5,10-CH2-THF can also be used as a coenzyme in the biosynthesis of thymidine. More specifically it is the C1-donor in the reactions catalyzed by thymidylate synthase and thymidylate synthase (FAD). It also acts as a coenzyme in the synthesis of serine from glycine via the enzyme serine hydroxymethyl transferase. 5,10-Methylene-THF is a substrate for Methylenetetrahydrofolate reductase. This enzyme converts 5,10-methylenetetrahydrofolate to 5-methyltetrahydrofolate. This reaction is required for the multistep process that converts the amino acid homocysteine to methionine. The body uses methionine to make proteins and other important compounds. 5,10-CH2-THF is a substrate for many enzymes including Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase (mitochondrial), Aminomethyltransferase (mitochondrial), Serine hydroxymethyltransferase (mitochondrial), Methylenetetrahydrofolate reductase, C-1-tetrahydrofolate synthase (cytoplasmic), Serine hydroxymethyltransferase (cytosolic) and Thymidylate synthase. 5,10-Methylene-THF is an intermediate in the metabolism of Methane and the metabolism of Nitrogen. It is a substrate for Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase (mitochondrial), Aminomethyltransferase (mitochondrial), Serine hydroxymethyltransferase (mitochondrial), Methylenetetrahydrofolate reductase, C-1-tetrahydrofolate synthase (cytoplasmic), Serine hydroxymethyltransferase (cytosolic) and Thymidylate synthase. [HMDB] COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-O-Acetylpapaveroxine
C24H27NO8 (457.17365820000003)
A benzylisoquinoline alkaloid that is 3-O-acetyl-4-O-demethylpapaveroxine in which the phenolic hydroxy group has been converted to the corresponding methyl ether. An intermediate in the biosynthesis of noscarpine in the opium poppy, Papaver somniferum.
Mandelonitrile sophoroside
C20H27NO11 (457.15840320000007)
Mandelonitrile sophoroside is isolated from leaves of perilla (Perilla frutescens var. acuta). Isolated from leaves of perilla (Perilla frutescens variety acuta)
5-Methyldihydrofolic acid
5-Methyldihydrofolic acid is a biopterin derivative present in human body fluids and tissues. (PMID: 932231) [HMDB] 5-Methyldihydrofolic acid is a biopterin derivative present in human body fluids and tissues. (PMID: 932231).
(6R)-5,10-Methylenetetrahydrofolate
Bisindolylmaleimide IX
2-[[4-[(2-Amino-1-methyl-4-oxo-2,3-dihydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
2-[[4-[(2-Amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-methylidenepentanedioic acid
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
C20H27NO11 (457.15840320000007)
1,4-Lactone,tri-N-benzoyl-(2S,3S,4R)-2,3,5-Triamino-4-hydroxypentanoic acid
C26H23N3O5 (457.16376280000003)
4-hydroxyphenylacetonitrile 4-O-beta-D-glucopyranosyl(1->6)-beta-D-glucopyranoside|adenophoraside D
C20H27NO11 (457.15840320000007)
Amygdalin
C20H27NO11 (457.15840320000007)
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].
ro 31-8220
C20H27NO11_{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}(4-hydroxyphenyl)acetonitrile
C20H27NO11 (457.15840320000007)
C20H27NO11_(2S)-{[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}(phenyl)acetonitrile
C20H27NO11 (457.15840320000007)
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
C20H27NO11 (457.15840320000007)
5-Methyldihydrofolic acid
A member of the class of dihydrofolic acids that is dihydrofolic acid carrying a methyl substituent at position 5.
Mandelonitrile sophoroside
C20H27NO11 (457.15840320000007)
{[2-O-(6-Deoxy-?-L-mannopyranosyl)-?-D-glucopyranosyl]oxy}(4-hydroxyphenyl)acetonitrile
C20H27NO11 (457.15840320000007)
10-Phenyl-10H-spiro[acridine-9,9-fluorene]-2,7-dicarbonitrile
1H-Indol-3-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
C20H27NO11 (457.15840320000007)
Bisindolylmaleimide IX
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D004791 - Enzyme Inhibitors
(6R)-5,10-Methylenetetrahydrofolate
C2140 - Adjuvant > C2078 - Folic Acid Derivative
1,2-DI-N-Pentanoyl-SN-glycero-3-dithiophosphocholine
C18H36NO6PS2 (457.17215660000005)
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
C26H23N3O5 (457.16376280000003)
D004791 - Enzyme Inhibitors
5,10-Methylenetetrahydrofolic acid
C2140 - Adjuvant > C2078 - Folic Acid Derivative
6-(1-azepanylsulfonyl)-1-ethyl-N-(2-furanylmethyl)-4-oxo-3-quinolinecarboxamide
C23H27N3O5S (457.1671332000001)
2,4-dihydroxy-3-({3-[(1S,4aS,5R,6R,7S,9S,9aR)-5-hydroxy-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)benzoic acid
C24H27NO8 (457.17365820000003)
(6R)-5,10-Methylenetetrahydrofolic acid
The (6R)-stereoisomer of 5,10-methylenetetrahydrofolic acid.
platensimycin A1
C24H27NO8 (457.17365820000003)
A polycyclic cage that is the 5-hydroxy derivative of platensimycin. It is isolated from Streptomyces platensis.
5-Methyltetrahydrofolate(2-)
A dicarboxylic acid dianion resulting from the deprotonation of the two carboxy groups of 5-methyltetrahydrofolic acid; major species at pH 7.3.
(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
C26H23N3O5 (457.16376280000003)
ethyl 4-[(1-{10-acetyl-11,13-dihydroxy-2,12-dimethyl-3,5-dioxo-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),6,9,11-tetraen-4-ylidene}ethyl)amino]butanoate
C24H27NO8 (457.17365820000003)
(2s)-2-[(4-{1-hydroxy-3-imino-4h,5h,6h,6ah,7h,9h-imidazo[1,5-f]pteridin-8-yl}phenyl)formamido]pentanedioic acid
(2s,3s,4r,5r)-3-{[(2s)-2-amino-1-hydroxy-3-(4-methoxyphenyl)propylidene]amino}-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic 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
C24H27NO6S (457.1559002000001)
5-[(2r,4s,5s,6r)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-4-hydroxy-17-methyl-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione
C24H27NO8 (457.17365820000003)
(2r)-2-phenyl-2-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}acetonitrile
C20H27NO11 (457.15840320000007)
(2s)-2-({4-[(6ar)-1-hydroxy-3-imino-4h,5h,6h,6ah,7h,9h-imidazo[1,5-f]pteridin-8-yl]phenyl}formamido)pentanedioic acid
2,4-dihydroxy-3-({1-hydroxy-3-[(1r,5s,7s,9s,11r)-11-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1⁷,¹⁰.0¹,⁶]tridec-2-en-5-yl]propylidene}amino)benzoic acid
C24H27NO8 (457.17365820000003)
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
C26H23N3O5 (457.16376280000003)
2,4-dihydroxy-3-[(1-hydroxy-3-{12-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1⁷,¹⁰.0¹,⁶]tridec-2-en-5-yl}propylidene)amino]benzoic acid
C24H27NO8 (457.17365820000003)
2,4-dihydroxy-3-({1-hydroxy-3-[(1s,5s,7s,9s)-9-(hydroxymethyl)-5-methyl-4-oxo-8-oxatetracyclo[7.2.1.1⁷,¹⁰.0¹,⁶]tridec-2-en-5-yl]propylidene}amino)benzoic acid
C24H27NO8 (457.17365820000003)
ethyl 4-({1-[(2r,4e)-10-acetyl-11,13-dihydroxy-2,12-dimethyl-3,5-dioxo-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),6,9,11-tetraen-4-ylidene]ethyl}amino)butanoate
C24H27NO8 (457.17365820000003)
5-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-4-hydroxy-17-methyl-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione
C24H27NO8 (457.17365820000003)
(2s)-2-phenyl-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}acetonitrile
C20H27NO11 (457.15840320000007)
6-[(acetyloxy)methyl]-6,9a-dimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-5-yl 4-nitrobenzoate
C24H27NO8 (457.17365820000003)
2,4-dihydroxy-3-({1-hydroxy-3-[(1s,5s,6r,7s,9r,12r)-12-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1⁷,¹⁰.0¹,⁶]tridec-2-en-5-yl]propylidene}amino)benzoic acid
C24H27NO8 (457.17365820000003)
(2r)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-phenylacetonitrile
C20H27NO11 (457.15840320000007)
2,4-dihydroxy-3-({1-hydroxy-3-[9-(hydroxymethyl)-5-methyl-4-oxo-8-oxatetracyclo[7.2.1.1⁷,¹⁰.0¹,⁶]tridec-2-en-5-yl]propylidene}amino)benzoic acid
C24H27NO8 (457.17365820000003)
5-chloro-2-(2-hydroxyethyl)-6a-methyl-9-(2-methylbut-2-enoyl)-3-(3-methylpent-1-en-1-yl)furo[2,3-h]isoquinoline-6,8-dione
C25H28ClNO5 (457.1655908000001)
(6as)-5-chloro-2-(2-hydroxyethyl)-6a-methyl-9-(2-methylbut-2-enoyl)-3-[(3s)-3-methylpent-1-en-1-yl]furo[2,3-h]isoquinoline-6,8-dione
C25H28ClNO5 (457.1655908000001)
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(1h-indol-3-yloxy)oxan-2-yl]methoxy}oxane-3,4,5-triol
C20H27NO11 (457.15840320000007)
(5r,5ar,6s,9ar,9br)-6-[(acetyloxy)methyl]-6,9a-dimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-5-yl 4-nitrobenzoate
C24H27NO8 (457.17365820000003)
(15r)-15-benzyl-3,11-dihydroxy-13-methyl-16-oxa-2,10,13-triazatricyclo[16.4.0.0⁴,⁹]docosa-1(22),2,4,6,8,10,18,20-octaene-14,17-dione
C26H23N3O5 (457.16376280000003)
(2r)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}oxan-3-yl]oxy}-2-phenylacetonitrile
C20H27NO11 (457.15840320000007)
2-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(1h-indol-3-yloxy)oxan-2-yl]methoxy}oxane-3,4,5-triol
C20H27NO11 (457.15840320000007)
(2r,3r,4r,5s,6s)-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
C26H23N3O5 (457.16376280000003)
(2r)-2-phenyl-2-{[(4s,5s)-3,4,5-trihydroxy-6-({[(3r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}acetonitrile
C20H27NO11 (457.15840320000007)
(11r,15r,17r)-5-[(4r,5s,6r)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-6-hydroxy-17-methyl-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione
C24H27NO8 (457.17365820000003)
2,4-dihydroxy-3-[(1-hydroxy-3-{10-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1⁷,¹⁰.0¹,⁶]tridec-2-en-5-yl}propylidene)amino]benzoic acid
C24H27NO8 (457.17365820000003)
2,4-dihydroxy-3-({1-hydroxy-3-[(1s,5s,7s,9s,10r)-10-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1⁷,¹⁰.0¹,⁶]tridec-2-en-5-yl]propylidene}amino)benzoic acid
C24H27NO8 (457.17365820000003)
2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy}-2-phenylacetonitrile
C20H27NO11 (457.15840320000007)
2,4-dihydroxy-3-[(1-hydroxy-3-{11-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1⁷,¹⁰.0¹,⁶]tridec-2-en-5-yl}propylidene)amino]benzoic acid
C24H27NO8 (457.17365820000003)
15-benzyl-3,11-dihydroxy-13-methyl-16-oxa-2,10,13-triazatricyclo[16.4.0.0⁴,⁹]docosa-1(22),2,4,6,8,10,18,20-octaene-14,17-dione
C26H23N3O5 (457.16376280000003)