Exact Mass: 230.0622
Exact Mass Matches: 230.0622
Found 500 metabolites which its exact mass value is equals to given mass value 230.0622,
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.
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
(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
(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
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
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
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
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
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
(S)-N-Glutamyl-(3-amino-2-methylenepropanoic acid)|gamma-L-glutamyl-alpha-methylene-beta-aminopropionic acid
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
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
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
1-(g-Glutamylamino)cyclopropanecarboxylic acid
Coriandrin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
1-(3-amino-3-carboxypropyl)-5-oxopyrrolidine-2-carboxylic acid
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.
6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
4-(5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)THIAZOL-2-YLAMINE
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
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
5-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
2-FLUORO-5-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
2,3,4,5-TETRACHLORO-6-(CYANOMETHYL)PHENYLACETONITRILE
1,2-Propanediol,2-(4-methylbenzenesulfonate), (S)- (9CI)
4-Methoxy-6-piperazin-1-yl-pyrimidine hydrochloride
2-FLUORO-3-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
3-(4-Fluorophenylthio)-2-hydroxy-2-methylpropanoic acid
N1-[[(4-METHYLPHENYL)SULFONYL]OXY]ETHANE-1,2-DIAMINE
4-HYDROXY-4-PHENYL-2-TRIFLUOROMETHYLBUTYRICACIDLACTONE
Benzene,1,4-bis(chloromethyl)-2,3,5,6-tetramethyl-
4-(1-ETHYL-1H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1,2,5-OXADIAZOL-3-AMINE
2-(7-CHLORO-1H-INDOL-3-YL)ETHANAMINE HYDROCHLORIDE
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
4-(4-HYDROXY-6-METHYL-2-OXO-2H-PYRIDIN-1-YL)-BUTYRIC ACID
3-(4,5,6,7-Tetrahydro-2H-indazol-3-yl)-propionic acid hydrochloride
1-(2-aminopyridin-4-yl)-2-(4-fluorophenyl)ethanone
Propanedioic Acid, 2-[[(Aminocarbonyl)Amino]Methylene]-,1,3-Diethyl Ester
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)
4-thiophen-2-yl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
4-(1,3-Dioxolan-2-yl)-2,6-difluorophenylboronic acid
4-CHLORO-1,3-DIETHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
Ethyl 4,5,6,7-tetrahydro-1H-benzo[d]imidazole-6-carboxylate hydrochloride
4,5-DIHYDRONAPHTHO[1,2]THIOPHENE-2-CARBOXYLIC ACID
1-OXO-2,3,4,9-TETRAHYDRO-1H-B-CARBOLINE-6-CARBOXYLIC ACID
Benzene,1,2-bis(chloromethyl)-3,4,5,6-tetramethyl-
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
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
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
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
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
4-Chloro-3-(4-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridine
5-FLUORO-4-(IMIDAZO[1,2-B]PYRIDAZIN-3-YL)PYRIMIDIN-2-AMINE
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
Nickel(2+),hexaammine-, chloride (1:2), (OC-6-11)-
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
(S)-Methyl 2-amino-3-(5-methylpyridin-2-yl)propanoate hydrochloride
1,3-Benzodioxole-4-carboxaldehyde, 7-(4-methyl-1H-imidazol-1-yl)
TERT-BUTYL [5-(HYDROXYMETHYL)-1,3-OXAZOL-2-YL]-CARBAMATE
(2-Amino-4-(imino(methoxy)methyl)phenyl)boronic acid hydrochloride
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
(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
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
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
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.
(2S,3S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid
1-(gamma-Glutamylamino)cyclopropanecarboxylic acid
(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
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
(1s,4r,5s,6s,7s,10s,11s)-5,7,10-trihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undecan-2-one
(7s)-3,7-diamino-2-methylidene-4-oxooctanedioic acid
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"}
