Exact Mass: 230.057906
Exact Mass Matches: 230.057906
Found 500 metabolites which its exact mass value is equals to given mass value 230.057906,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Visnagin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Visnagin, an antioxidant furanocoumarin derivative, possess anti-inflammatory and analgesic properties. Visnagin has substantial potential to prevent Cerulein induced acute pancreatitis (AP). Visnagin possess promising vasodilator effects in vascular smooth muscles[1][2]. Visnagin, an antioxidant furanocoumarin derivative, possess anti-inflammatory and analgesic properties. Visnagin has substantial potential to prevent Cerulein induced acute pancreatitis (AP). Visnagin possess promising vasodilator effects in vascular smooth muscles[1][2].
(E)-4-(3-hydroxy-1H-inden-2-yl)-2-oxobut-3-enoic acid
(Z,4Z)-2-hydroxy-4-(2-oxoindan-1-ylidene)but-2-enoic acid
Bisnoryangonin
Bisnoryangonin is a member of the class of compounds known as styrenes. Styrenes are organic compounds containing an ethenylbenzene moiety. Bisnoryangonin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Bisnoryangonin can be found in a number of food items such as pepper (c. baccatum), celeriac, french plantain, and olive, which makes bisnoryangonin a potential biomarker for the consumption of these food products.
N1-Acetyl-tabtoxinine-beta-lactam
C9H14N2O5 (230.09026740000002)
Visnagin
Visnagin is a furanochromone that is furo[3,2-g]chromen-5-one which is substituted at positions 4 and 7 by methoxy and methyl groups, respectively. Found in the toothpick-plant, Ammi visnaga. It has a role as a phytotoxin, an EC 1.1.1.37 (malate dehydrogenase) inhibitor, a vasodilator agent, an antihypertensive agent, an anti-inflammatory agent and a plant metabolite. It is a furanochromone, an aromatic ether and a polyketide. It is functionally related to a 5H-furo[3,2-g]chromen-5-one. Visnagin is a natural product found in Ammi visnaga, Musineon divaricatum, and Actaea dahurica with data available. A furanochromone that is furo[3,2-g]chromen-5-one which is substituted at positions 4 and 7 by methoxy and methyl groups, respectively. Found in the toothpick-plant, Ammi visnaga. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Visnagin, an antioxidant furanocoumarin derivative, possess anti-inflammatory and analgesic properties. Visnagin has substantial potential to prevent Cerulein induced acute pancreatitis (AP). Visnagin possess promising vasodilator effects in vascular smooth muscles[1][2]. Visnagin, an antioxidant furanocoumarin derivative, possess anti-inflammatory and analgesic properties. Visnagin has substantial potential to prevent Cerulein induced acute pancreatitis (AP). Visnagin possess promising vasodilator effects in vascular smooth muscles[1][2].
Coriandrin
Constituent of Coriandrum sativum (coriander). Coriandrin is found in coriander and herbs and spices. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Coriandrin is found in coriander. Coriandrin is a constituent of Coriandrum sativum (coriander)
(2S,3'S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid
C9H14N2O5 (230.09026740000002)
(2S,3S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid is found in mushrooms. (2S,3S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid is a amino acid from the basidiomycete Lactarius piperatus. Amino acid from the basidiomycete Lactarius piperatus. (2S,3S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid is found in mushrooms.
Wyeronic acid
Wyeronic acid is found in pulses. Wyeronic acid is isolated from Vicia faba. Isolated from Vicia faba. Wyeronic acid is found in pulses.
6-Methoxy-3-(2-thiazolyl)-1H-indole
6-Methoxy-3-(2-thiazolyl)-1H-indole is found in fats and oils. 6-Methoxy-3-(2-thiazolyl)-1H-indole is from Camelina sativa (false flax) infected with Alternaria brassicae. From Camelina sativa (false flax) infected with Alternaria brassicae. 6-Methoxy-3-(2-thiazolyl)-1H-indole is found in fats and oils.
(1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole
C9H14N2O5 (230.09026740000002)
(1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole is a minor component of Caramel Colour II D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents
Prolyl-Aspartate
C9H14N2O5 (230.09026740000002)
Prolyl-Aspartate is a dipeptide composed of proline and aspartate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Aspartyl-L-proline
C9H14N2O5 (230.09026740000002)
High concentration of aspartyl-L-proline is found in the urine of patients with prolidase deficiency. Prolidase deficiency is an inborn error of metabolism which can cause mental retardation and severe skin ulcers in affected individuals. (Scrivers OMMBID; Wikipedia) [HMDB] High concentration of aspartyl-L-proline is found in the urine of patients with prolidase deficiency. Prolidase deficiency is an inborn error of metabolism which can cause mental retardation and severe skin ulcers in affected individuals. (Scrivers OMMBID; Wikipedia).
Aspartyl-Proline
C9H14N2O5 (230.09026740000002)
Aspartyl-Proline is a dipeptide composed of aspartate and proline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
1-(gamma-Glutamylamino)cyclopropanecarboxylic acid
C9H14N2O5 (230.09026740000002)
1-(gamma-Glutamylamino)cyclopropanecarboxylic acid is found in garden tomato. 1-(gamma-Glutamylamino)cyclopropanecarboxylic acid is isolated from tomato fruit (Lycopersicon esculentum Isolated from tomato fruit (Lycopersicon esculentum). 1-(gamma-Glutamylamino)cyclopropanecarboxylic acid is found in garden tomato.
2',4'-Dihydroxy-2-biphenylcarboxylic acid
2,4-Dihydroxy-2-biphenylcarboxylic acid is found in herbs and spices. 2,4-Dihydroxy-2-biphenylcarboxylic acid is a constituent of Trifolium repens (white clover) (isolated as the permethyl derivative). Constituent of Trifolium repens (white clover) (isol. as the permethyl deriv.). 2,4-Dihydroxy-2-biphenylcarboxylic acid is found in tea, herbs and spices, and pulses.
3,3'-Dithiobis[4,5-dihydro-2-methylfuran]
3,3-Dithiobis[4,5-dihydro-2-methylfuran] is a component of meat aroma model systems. Cysteine-derived Maillard product. Component of meat aroma model systems. Cysteine-derived Maillard product
Hydralazine pyruvate hydrazone
Hydralazine pyruvate hydrazone is a metabolite of hydralazine. Hydralazine (apresoline) is a direct-acting smooth muscle relaxant used to treat hypertension by acting as a vasodilator primarily in arteries and arterioles. By relaxing vascular smooth muscle, vasodilators act to decrease peripheral resistance, thereby lowering blood pressure and decreasing afterload. (Wikipedia)
(2-Quinoxalinylmethylene)hydrazinecarboxylic acid methyl ester
2',3'-Dideoxy-3'-fluorouridine
4-Oxo-6-(3-pyridyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
BENZANTHRONE
CONFIDENCE standard compound; INTERNAL_ID 12 CONFIDENCE standard compound; INTERNAL_ID 8282
2-(3,4-dihydroxybut-1-yn-1-yl)-5-(penta-1,3-diyn-1-yl)thiophene|2-(penta-1,3-diynyl)-5-(3,4-dihydroxybut-1-ynyl)-thiophene|2-(pentadiynyl-1,3)-5-(3,4-dihydroxy-butynyl-1)thiophene|2--5-<3,4-dihydroxy-butin-(1)-yl>-thiophen|2-Hydroxy-4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol|4-(5-penta-1,3-diynyl-thiophen-2-yl)-but-3-yne-1,2-diol|4-[5-(penta-1,3-diyn-1-yl)-2-thienyl]-but-3-yne-1,2-diol
C13H10O2S (230.04014800000002)
(S)-N-Glutamyl-(3-amino-2-methylenepropanoic acid)|gamma-L-glutamyl-alpha-methylene-beta-aminopropionic acid
C9H14N2O5 (230.09026740000002)
3-Hydroxy -6-[2-(4-Hyroxyphenyl)-2H-pyran-2-one|6-(3,4-Dihydroxy-trans-styryl)-2-pyron
Me ester-(1S, 5R, E)-5-Chloro-1-hydroxy-4-oxo-2-(2-propenyl)-2-cyclopentene-1-carboxylic acid
3-Chloro-2-hydroxy-4-methoxy-6-methylbenzoic acid methyl ester
1,10-epithio-7,9-tridecadiene3-,5,11-triyne-1,2-diol|1-[4-[5-(1-Propynyl)-2-thienyl]-1,3-butadiynyl]-1,2-ethanedol|2-(1-propynyl)-5-(5,6-dihydroxyhex-3-yn-1-ynyl)-thiophene|2-(prop-1-inyl)-5-(5,6-dihydroxyhexa-1,3-diinyl)-thiophene|thiophene A diol
C13H10O2S (230.04014800000002)
methyl 5alpha,6alpha-epoxy-1-hydroxy-2-methoxy-4-oxocyclohexanacetate
7-amino-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
geleganoid A|octahydro-3,4a,7-trihydroxy-4-methyl-(2aR,3S,4S,4aS,7S,7aS,7bS)-1H-2,6-dioxacyclopent[cd]inden-1-one
jatamanin N|rel-(2R,3R,3aR,4S,6aR,7S,7aS)-octahydro-3-(hydroxymethyl)-2,4-epoxy-2H-cyclopenta[1,2-b:3,4-c?]difuran-3a,7-diol
6-Benzo[1,3]dioxol-5-yl-4-methyl-pyran-2-on|6-benzo[1,3]dioxol-5-yl-4-methyl-pyran-2-one
2-(3-amino-3-carboxy-propyl)-thiazole-4-carboxylic acid
1-Hydroxy-3,4-dihydro-1H-naphtho[2,3-c]pyran-5,10-dione
1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl-
(1RS)-1-[5-(hepta-1,3,5-triynyl)thiophen-2-yl]ethane-1,2-diol|rhapontiynethiophene B
C13H10O2S (230.04014800000002)
SARS-CoV MPro-IN-2
4-methoxy-7-methylfuro[3,2-g]chromen-5-one
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
Visnagin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Visnagin, an antioxidant furanocoumarin derivative, possess anti-inflammatory and analgesic properties. Visnagin has substantial potential to prevent Cerulein induced acute pancreatitis (AP). Visnagin possess promising vasodilator effects in vascular smooth muscles[1][2]. Visnagin, an antioxidant furanocoumarin derivative, possess anti-inflammatory and analgesic properties. Visnagin has substantial potential to prevent Cerulein induced acute pancreatitis (AP). Visnagin possess promising vasodilator effects in vascular smooth muscles[1][2].
2,4,4-Trihydroxybenzophenone
CONFIDENCE standard compound; INTERNAL_ID 778; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3725; ORIGINAL_PRECURSOR_SCAN_NO 3722 CONFIDENCE standard compound; INTERNAL_ID 778; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3734; ORIGINAL_PRECURSOR_SCAN_NO 3730 CONFIDENCE standard compound; INTERNAL_ID 778; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3744; ORIGINAL_PRECURSOR_SCAN_NO 3742 CONFIDENCE standard compound; INTERNAL_ID 778; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3719; ORIGINAL_PRECURSOR_SCAN_NO 3716 CONFIDENCE standard compound; INTERNAL_ID 778; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3743; ORIGINAL_PRECURSOR_SCAN_NO 3740 CONFIDENCE standard compound; INTERNAL_ID 778; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3761; ORIGINAL_PRECURSOR_SCAN_NO 3759
2,3,4-Trihydroxbenzophenone
A benzenetriol that is benzophenone in which one of the phenyl groups is substituted by hydroxy groups at positions 2, 3, and 4. It is a redox mediator. CONFIDENCE standard compound; INTERNAL_ID 1317; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3725; ORIGINAL_PRECURSOR_SCAN_NO 3722 CONFIDENCE standard compound; INTERNAL_ID 1317; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3734; ORIGINAL_PRECURSOR_SCAN_NO 3730 CONFIDENCE standard compound; INTERNAL_ID 1317; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3744; ORIGINAL_PRECURSOR_SCAN_NO 3742 CONFIDENCE standard compound; INTERNAL_ID 1317; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3719; ORIGINAL_PRECURSOR_SCAN_NO 3716 CONFIDENCE standard compound; INTERNAL_ID 1317; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3743; ORIGINAL_PRECURSOR_SCAN_NO 3740 CONFIDENCE standard compound; INTERNAL_ID 1317; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3761; ORIGINAL_PRECURSOR_SCAN_NO 3759
2-ATHBI
C9H14N2O5 (230.09026740000002)
D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents
Pro-asp
C9H14N2O5 (230.09026740000002)
A dipeptide formed from L-proline and L-aspartic acid residues.
Coriandrin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
Bis(2-methyl-4,5-dihydro-3-furyl) disulfide
A member of the class of dihydrofurans that is disulfane in which both hydrogens are substituted by 2-methyl-4,5-dihydrofuran-3-yl groups. It is a flavouring agent found in meat.
2-phenyl-3-(2-thienyl)acrylic acid
C13H10O2S (230.04014800000002)
4-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL)-PHENOL
C8H5F3N4O (230.04154359999998)
2-(4-fluorophenyl)-2-phenylacetic acid
C14H11FO2 (230.07430380000002)
6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
1-[bis(ethylsulfanyl)methyl]-4-fluorobenzene
C11H15FS2 (230.05991619999998)
tert-butyl 3-chloro-4-fluorobenzoate
C11H12ClFO2 (230.05098139999998)
(2-AMINO-2-PHENYLETHYL)DIMETHYLAMINE
C9H11ClN2OS (230.02805859999998)
4-(5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)THIAZOL-2-YLAMINE
2-[(4-fluorophenyl)methoxy]benzaldehyde
C14H11FO2 (230.07430380000002)
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid
N-Methyl-N-[4-(methylsulfonyl)-2-nitrophenyl]amine
(3-TRIFLUOROMETHYLPHENYLMETHANESULFONYL)-ACETICACID
5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
5-amino-3-methylsulfanyl-1-phenylpyrazole-4-carbonitrile
(4-Fluoro-2-biphenylyl)acetic acid
C14H11FO2 (230.07430380000002)
5-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
4,4,4-trifluoro-1-(2-methylphenyl)butane-1,3-dione
1,3-Butanedione,4,4,4-trifluoro-1-(3-methylphenyl)-
2,4-DICHLORO-1,2,3,4-TETRAHYDRO-6,7-DIMETHYLQUINAZOLINE
Diethyl propanediimidate dihydrochloride
C7H16Cl2N2O2 (230.05887760000002)
3-[(3-FLUOROBENZYL)OXY]BENZALDEHYDE
C14H11FO2 (230.07430380000002)
5-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
Benazolin
R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AA - Sympathomimetics, plain C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
2-FLUORO-5-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C14H11FO2 (230.07430380000002)
2,3,4,5-TETRACHLORO-6-(CYANOMETHYL)PHENYLACETONITRILE
C13H10O2S (230.04014800000002)
DIETHYL(4-HYDROXYPHENYL)PHOSPHONATE
C10H15O4P (230.07079199999998)
1,2-Propanediol,2-(4-methylbenzenesulfonate), (S)- (9CI)
2-(BENZYLOXY)-4-FLUOROBENZALDEHYDE
C14H11FO2 (230.07430380000002)
1-(3,4-DICHLORO-PHENYL)-3-AZA-BICYCLO[3.1.0]HEXANEHCL
4-Chloro-2-(1-piperidino)-5-thiazolecarboxaldehyde
C9H11ClN2OS (230.02805859999998)
(4-Fluoro-3-biphenylyl)acetic acid
C14H11FO2 (230.07430380000002)
(3-FLUORO-BIPHENYL-2-YL)ACETICACID
C14H11FO2 (230.07430380000002)
(3-Fluoro-3-biphenylyl)acetic acid
C14H11FO2 (230.07430380000002)
2-FLUORO-3-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
C14H11FO2 (230.07430380000002)
3-(4-Fluorophenylthio)-2-hydroxy-2-methylpropanoic acid
N1-[[(4-METHYLPHENYL)SULFONYL]OXY]ETHANE-1,2-DIAMINE
4-HYDROXY-4-PHENYL-2-TRIFLUOROMETHYLBUTYRICACIDLACTONE
4-[(2-Fluorobenzyl)oxy]benzaldehyde
C14H11FO2 (230.07430380000002)
4-(Benzyloxy)-3-fluorobenzaldehyde
C14H11FO2 (230.07430380000002)
Benzene,1,4-bis(chloromethyl)-2,3,5,6-tetramethyl-
C12H16Cl2 (230.06289959999998)
1-[4-(4-Fluorophenoxy)phenyl]ethanone
C14H11FO2 (230.07430380000002)
2-(7-CHLORO-1H-INDOL-3-YL)ETHANAMINE HYDROCHLORIDE
Ethyl piperazine-2-carboxylate dihydrochloride
C7H16Cl2N2O2 (230.05887760000002)
5-(Trifluoromethyl)-1H-benzo[d]imidazole-2-carboxylic acid
TRANDOLAPRIL/(2S,3AR,7AS)-1-[(2S)-2-[[(1S)-1-ETHOXYCARBONYL-3-PHENYL-PROPYL]AMINO]PROPANOYL]-2,3,3A,4,5,6,7,7A-OCTAHYDROINDOLE-2-CARBOXYLICACID
Aminacrine HCl
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D004396 - Coloring Agents > D005456 - Fluorescent Dyes D009676 - Noxae > D009153 - Mutagens D000890 - Anti-Infective Agents
t-Butyl 4-chloro-2-fluorobenzoate
C11H12ClFO2 (230.05098139999998)
4-(4-HYDROXY-6-METHYL-2-OXO-2H-PYRIDIN-1-YL)-BUTYRIC ACID
1-[4-(FLUOROMETHYL)PHENYL]-3-HYDROXY-2-PYRAZOLINE
C10H9F3N2O (230.06669399999998)
2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
3-(4,5,6,7-Tetrahydro-2H-indazol-3-yl)-propionic acid hydrochloride
1-(2-aminopyridin-4-yl)-2-(4-fluorophenyl)ethanone
4-Amino-5-methoxy-2-methylbenzenesulfon-N-methylamide
Butanedioic acid,1-(phenylmethyl) ester, sodium salt (1:1)
D-Glucose,2-amino-2-deoxy-, oxime, monohydrochloride (9CI)
C6H15ClN2O5 (230.06694499999998)
4-thiophen-2-yl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
4-(1,3-Dioxolan-2-yl)-2,6-difluorophenylboronic acid
Benzoic acid,4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-
4-CHLORO-1,3-DIETHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
1-[5-(FLUOROMETHYL)PHENYL]-3-HYDROXY-2-PYRAZOLINE
C10H9F3N2O (230.06669399999998)
Ethyl 4,5,6,7-tetrahydro-1H-benzo[d]imidazole-6-carboxylate hydrochloride
4,5-DIHYDRONAPHTHO[1,2]THIOPHENE-2-CARBOXYLIC ACID
C13H10O2S (230.04014800000002)
1-OXO-2,3,4,9-TETRAHYDRO-1H-B-CARBOLINE-6-CARBOXYLIC ACID
Benzene,1,2-bis(chloromethyl)-3,4,5,6-tetramethyl-
C12H16Cl2 (230.06289959999998)
ETHYL1-TERT-BUTYL-5-CHLORO-1H-PYRAZOLE-4-CARBOXYLATE
6-Ethyl-2-(Methylsulfonyl)pyrimidine-4-carboxylic acid
3-Amino-3-(2-chloro-6-fluorophenyl)-N-methylpropanamide
C10H12ClFN2O (230.06221439999996)
2-Fluoro-3-methylbiphenyl-3-carboxylic acid
C14H11FO2 (230.07430380000002)
2-Fluoro-4-methylbiphenyl-3-carboxylic acid
C14H11FO2 (230.07430380000002)
1-[4-(3-FLUORO-PHENOXY)-PHENYL]-ETHANONE
C14H11FO2 (230.07430380000002)
9-OXO-1,2,3,9-TETRAHYDRO-PYRROLO[2,1-B]QUINAZOLINE-6-CARBOXYLIC ACID
6-Chloro-3-phenyl[1,2,4]triazolo[4,3-B]pyridazine
2-Oxo-1-(pyridin-3-ylmethyl)-1,2-dihydropyridine-3-carboxylic acid
5-FLUORO-3-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C14H11FO2 (230.07430380000002)
6,7-Dimethoxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
7-chloro-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
2-(PYRIDIN-4-YL)-5,6-DIHYDROBENZO[D]THIAZOL-7(4H)-ONE
2-Fluoro-6-methylbiphenyl-3-carboxylic acid
C14H11FO2 (230.07430380000002)
1H-IMIDAZOLE, 2-(4-FLUOROPHENYL)-5-(TRIFLUOROMETHYL)-
1-(4-TRIFLUOROMETHYL-PHENYL)-CYCLOPROPANECARBOXYLIC ACID
6-Phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
(3-Fluoro-4-biphenylyl)acetic acid
C14H11FO2 (230.07430380000002)
(4-Fluoro-4-biphenylyl)acetic acid
C14H11FO2 (230.07430380000002)
Methylpiperazine-2-acetate dihydrochloride
C7H16Cl2N2O2 (230.05887760000002)
2-(3-FLUORO-BENZYLOXY)-BENZALDEHYDE
C14H11FO2 (230.07430380000002)
2-[(2-FLUOROBENZYL)OXY]BENZALDEHYDE
C14H11FO2 (230.07430380000002)
4-((3-Fluorobenzyl)oxy)benzaldehyde
C14H11FO2 (230.07430380000002)
2-(Trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
1H-Indole,7-chloro-2,3-dihydro-2-(3-pyridinyl)-(9CI)
5-Chloro-3-(2-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridine
methyl 2-(methanesulfonamido)pyridine-3-carboxylate
1-(2-CHLORO-BENZYL)-PIPERIDINE-4-CARBOXYLICACIDHYDROCHLORIDE
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
4-amino-5-methoxy-2-methyl-N-methylbenzene sulfonamide
4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
nonylmagnesium bromide 1.0m solution i&
C9H19BrMg (230.05205339999998)
2-(TRIFLUOROMETHYL)-1H-BENZO[D]IMIDAZOLE-7-CARBOXYLIC ACID
4-Chloro-3-(4-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridine
3-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
5-FLUORO-4-(IMIDAZO[1,2-B]PYRIDAZIN-3-YL)PYRIMIDIN-2-AMINE
2-chloro-6-propylsulfanylpyridine-4-carboxamide
C9H11ClN2OS (230.02805859999998)
Benzenemethanaminium,N,N,N-trimethyl-4-nitro-, chloride (1:1)
1-ACETYL-1H-FURO[3,4:4,5]BENZO[1,2-D]IMIDAZOLE-5,7-DIONE
3-(Benzyloxy)-4-fluorobenzaldehyde
C14H11FO2 (230.07430380000002)
3-fluoro-2-phenylmethoxybenzaldehyde
C14H11FO2 (230.07430380000002)
Nickel(2+),hexaammine-, chloride (1:2), (OC-6-11)-
Cl2H18N6Ni (230.03233980000002)
1-[(2R,5S)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]-2,4(1H,3H)-pyrimidinedione
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione monohydrochloride
2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carboxylic acid
(S)-Methyl 2-amino-3-(5-methylpyridin-2-yl)propanoate hydrochloride
2-Hydroxy-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzaldehyde
1,3-Benzodioxole-4-carboxaldehyde, 7-(4-methyl-1H-imidazol-1-yl)
tert-Butyl 2-chloro-5-fluorobenzoate
C11H12ClFO2 (230.05098139999998)
tert-Butyl2-chloro-4-fluoroBenzoate
C11H12ClFO2 (230.05098139999998)
5-(3-TRIFLUOROMETHOXYPHENYL)-1H-TETRAZOLE
C8H5F3N4O (230.04154359999998)
TERT-BUTYL [5-(HYDROXYMETHYL)-1,3-OXAZOL-2-YL]-CARBAMATE
(2-Amino-4-(imino(methoxy)methyl)phenyl)boronic acid hydrochloride
3-(4-FLUORO-BENZYLOXY)-BENZALDEHYDE
C14H11FO2 (230.07430380000002)
1-(2,5-DICHLORO-4-NITROPHENYL)-2,5-DIMETHYL-1H-PYRROLE
(4-(Methylsulfonyl)Morpholin-2-yl)Methanamine hydrochloride
1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
Fluminorex
C10H9F3N2O (230.06669399999998)
C78272 - Agent Affecting Nervous System > C29728 - Anorexiant
(2-Quinoxalinylmethylene)hydrazinecarboxylic acid methyl ester
8-Hydroxy-6-methyl-2,3-dihydrocyclopenta[b]chromene-1,9-dione
({2-[(5-Methylisoxazol-3-yl)amino]-2-oxoethyl}thio)acetic acid
6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione
[Chloro(phenylsulfanyl)methyl](trimethyl)silane
C10H15ClSSi (230.03522199999998)
3-[(2-Aminoethyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
A beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carrying an additional (2-aminoethyl)sulfanyl substituent at position 3. An intermediate in the biosynthesis of carbapenem.
2-hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene) but-2-enoic acid
3-Phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
C10H9F3N2O (230.06669399999998)
2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
4-Methyl-N-[(E)-phenylmethylidene]-1,2,5-oxadiazole-3-carbohydrazide
Nocardione A
A naphthofuran that is 2,3-dihydronaphtho[1,2-b]furan-4,5-dione substitutd by a hydroxy group at position 6 and a methyl group at position 2. It is isolated from Norcardia sp.TC-A0248 and acts as a protein tyrosine phosphatase inhibitor.
2-hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene) but-2-enoic acid
(2Z)-2-(phthalazin-1-ylhydrazinylidene)propanoic acid
3-Chloro-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
2-(5H-[1,2,4]triazolo[5,1-a]isoindol-2-yl)ethanethioamide
3-Amino-7-methoxy-3,5-dihydro-pyrimido[5,4-b]indol-4-one
(2E,4Z)-4-(carboxymethylene)-5-hydroxyhept-2-enedioic acid
2-(Cyclopropylcarbonyl)-3-(4-fluoroanilino)acrylonitrile
5-Chloro-3,7-bis(hydroxymethyl)-2-methoxycyclohepta-2,4,6-trien-1-one
[3-(Bromomethyl)-2,2-dimethyl-3-cyclopenten-1-yl]acetaldehyde
6-METHOXYCAMALEXIN
An indole phytoalexin that is camalexin in which the hydrogen at position 6 on the indole fragment has been replaced by a methoxy group.
(2Z,4E)-3-(2-carboxy-1-hydroxyethyl)-2,4-hexadienedioic acid
A tricarboxylic acid that is hexa-2,4-dienedioic acid which is substituted at position 3 by a 2-carboxy-1-hydroxyethyl group (the 2Z,4E isomer; a mixture of isomers at the carbon bearing the alcoholic hydroxy group). It has been produced from trans-caffeic acid using Aspergillus niger, but the conversion rate was increased 3.5 times by using a coculture of Streptomyces coelicolor and Aspergillus niger.
Resveratrol analog 1
C14H11FO2 (230.07430380000002)
Resveratrol analog 1 is an analog of Resveratrol (HY-16561), compound 48. Resveratrol is?a natural polyphenolic phytoalexin that possesses anti-oxidant, anti-inflammatory, cardioprotective, and anti-cancer properties.
(2r)-6-[5-(prop-1-yn-1-yl)thiophen-2-yl]hexa-3,5-diyne-1,2-diol
C13H10O2S (230.04014800000002)
(1s,4r,5s,6s,7s,10s,11s)-5,7,10-trihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undecan-2-one
6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]pyran-2-one
(3r)-3-hydroxy-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
8,9-epoxy-7-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]non-2-en-4-ol
{"Ingredient_id": "HBIN013594","Ingredient_name": "8,9-epoxy-7-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]non-2-en-4-ol","Alias": "NA","Ingredient_formula": "C13H10O4","Ingredient_Smile": "NA","Ingredient_weight": "230.222","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7390","PubChem_id": "NA","DrugBank_id": "NA"}
methyl (1r,5r)-5-chloro-1-hydroxy-4-oxo-2-[(1e)-prop-1-en-1-yl]cyclopent-2-ene-1-carboxylate
(1s)-1-hydroxy-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
(1s,2s,3'r,4z,5r)-4-(hexa-2,4-diyn-1-ylidene)-3'h-3,6-dioxaspiro[bicyclo[3.1.0]hexane-2,2'-furan]-3'-ol
(4as,5r,6s,7s,7as)-5,6,7a-trihydroxy-7-methyl-1h,4ah,5h,6h,7h-cyclopenta[c]pyran-4-carboxylic acid
2-({[n-(furan-2-yl)amino]methylidene}amino)benzoic acid
methyl 2-{2-hydroxy-3-methoxy-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl}acetate
(2s)-4-[5-(penta-1,3-diyn-1-yl)thiophen-2-yl]but-3-yne-1,2-diol
C13H10O2S (230.04014800000002)
6-methoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-4,5-diol
1-[(2r,3s,3ar,6ar)-3-hydroxy-5-oxo-tetrahydro-2h-furo[3,2-b]furan-2-yl]ethyl acetate
1-{3-hydroxy-5-oxo-tetrahydro-2h-furo[3,2-b]furan-2-yl}ethyl acetate
4-amino-n-(2-hydroxy-3h-pyrimidin-4-ylidene)benzamide
{5-[4-(furan-2-yl)but-3-en-1-yn-1-yl]thiophen-2-yl}methanol
C13H10O2S (230.04014800000002)
methyl 5-chloro-1-hydroxy-4-oxo-2-(prop-1-en-1-yl)cyclopent-2-ene-1-carboxylate
{5-[(3e)-4-(furan-2-yl)but-3-en-1-yn-1-yl]thiophen-2-yl}methanol
C13H10O2S (230.04014800000002)
8,10-dihydroxy-7-(hydroxymethyl)-4-methyl-1,6-dioxaspiro[4.5]dec-3-en-2-one
5,8-dihydroxy-3-methyl-9h-naphtho[2,3-c]furan-4-one
4-methyl-6-(phenylmethylidene)piperazine-2,3,5-trione
5-hydroxy-11-methoxy-10-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),4(12),5,7,9-pentaen-3-one
2-hydroxy-6-[(1e)-2-(4-hydroxyphenyl)ethenyl]pyran-4-one
(4as,9as)-1,7-dihydroxy-4a,9a-dihydroxanthen-9-one
6-[5-(prop-1-yn-1-yl)thiophen-2-yl]hexa-3,5-diyne-1,2-diol
C13H10O2S (230.04014800000002)
(1r,5r,6s)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl acetate
4-hydroxy-6-[2-(4-hydroxyphenyl)ethenyl]pyran-2-one
5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl acetate
4-[5-(penta-1,3-diyn-1-yl)thiophen-2-yl]but-3-yne-1,2-diol
C13H10O2S (230.04014800000002)