Exact Mass: 230.049187
Exact Mass Matches: 230.049187
Found 500 metabolites which its exact mass value is equals to given mass value 230.049187,
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].
D-Ribose 5-phosphate
Acquisition and generation of the data is financially supported in part by CREST/JST. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
D-Ribulose 5-phosphate
D-Ribulose 5-phosphate is a metabolite in the Pentose phosphate pathway, Pentose and glucuronate interconversions, and in the Riboflavin metabolism (KEGG) [HMDB]. D-Ribulose 5-phosphate is found in many foods, some of which are olive, cocoa bean, common chokecherry, and orange mint. D-Ribulose 5-phosphate is a metabolite in the following pathways: pentose phosphate pathway, pentose and glucuronate interconversions, and riboflavin metabolism (KEGG). Acquisition and generation of the data is financially supported in part by CREST/JST.
Ribose 1-phosphate
Ribose 1-phosphate, also known as alpha-D-ribofuranose 1-phosphate or 1-O-phosphono-A-D-ribofuranose, is a member of the class of compounds known as pentoses. Pentoses are monosaccharides in which the carbohydrate moiety contains five carbon atoms. Ribose 1-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). Ribose 1-phosphate can be found in a number of food items such as cassava, capers, pine nut, and wheat, which makes ribose 1-phosphate a potential biomarker for the consumption of these food products. Ribose 1-phosphate can be found primarily in cellular cytoplasm. Ribose 1-phosphate exists in all living species, ranging from bacteria to humans. In humans, ribose 1-phosphate is involved in several metabolic pathways, some of which include pyrimidine metabolism, nicotinate and nicotinamide metabolism, pentose phosphate pathway, and azathioprine action pathway. Ribose 1-phosphate is also involved in several metabolic disorders, some of which include beta ureidopropionase deficiency, gout or kelley-seegmiller syndrome, transaldolase deficiency, and UMP synthase deficiency (orotic aciduria). Ribose 1-phosphate is an intermediate in the metabolism of Pyrimidine and the metabolism of Nicotinate and nicotinamide. It is a substrate for Uridine phosphorylase 2, Phosphoglucomutase, Purine nucleoside phosphorylase and Uridine phosphorylase 1. Ribose 1-phosphate can be formed from guanosine through the action of purine nucleoside phosphorylase. Ribose 1-phosphate can also act as a ribose donor in the synthesis of xanthosine as catalyzed by the same enzyme (purine nucleoside phosphorylase). The presence of guanase, which irreversibly converts guanine to xanthine, affects the overall process of guanosine transformation. As a result of this purine pathway, guanosine is converted into xanthosine, thus overcoming the lack of guanosine deaminase in mammals. The activated ribose moiety in Ribose 1-phosphate which stems from the catabolism of purine nucleosides can be transferred to uracil and, in the presence of ATP, used for the synthesis of pyrimidine nucleotides; therefore, purine nucleosides can act as ribose donors for the salvage of pyrimidine bases. (PMID: 9133638). COVID info from COVID-19 Disease Map Corona-virus KEIO_ID R017 Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
D-Arabinose 5-phosphate
D-Arabinose 5-phosphate is an intermediate in biosynthesis of lipopolysaccharide. It is reversibly converted to D-ribulose 5-phosphate by arabinose-5-phosphate isomerase (EC 5.3.1.13). Acquisition and generation of the data is financially supported in part by CREST/JST. D-Arabinose 5-phosphate is an intermediate in biosynthesis of lipopolysaccharide. KEIO_ID A147
(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.
Demeton-S-methyl
C6H15O3PS2 (230.02002099999999)
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)
5-(1-Propynyl)-5'-vinyl-2,2'-bithiophene
5-(1-Propynyl)-5-vinyl-2,2-bithiophene is isolated from Tagetes erecta (African marigold). Isolated from Tagetes erecta (African marigold)
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.
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
3-Phenylpropionic acid sulfate
3-Phenylpropionic acid sulfate is an endogenous phenolic acid metabolite. 3-Phenylpropionic acid sulfate was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900).
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)
5-Methyl-5--2,2-bithienyl|5-<3-Buten-1-inyl>-5-methyl-2,2-bithiophen|5-But-3-en-1-inyl-5-methyl-<2,2>bithienyl|5-but-3-en-1-ynyl-5-methyl-[2,2]bithiophenyl|5-Methyl-5-but-3-en-1-inyl-<2,2>-bithienyl|5-Methyl-5-but-3-en-1-inyl-<2,2>bithienyl
3-hexa-3t,5-dien-1-ynyl-6-prop-1-ynyl-[1,2]dithiine|Thiarubrin C
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
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.
(E)-3-(hexa-3,5-dien-1-yn-1-yl)-6-(prop-1-yn-1-yl)-1,2-dithiine
2-phenyl-3-(2-thienyl)acrylic acid
C13H10O2S (230.04014800000002)
4-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL)-PHENOL
C8H5F3N4O (230.04154359999998)
Sulfamide, (6,7-dihydro-6-oxo-1H-purin-2-yl)- (9CI)
2-(4-(METHYLSULFONYL)PHENYL)-2-OXOACETALDEHYDE HYDRATE
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)
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)
POTASSIUM (5-AMINO-2-METHOXYPYRIDIN-3-YL)TRIFLUOROBORATE
C6H7BF3KN2O (230.02405779999998)
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
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
5-(4-CHLOROPHENYL)-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
C12H7ClN2O (230.02468819999999)
t-Butyl 4-chloro-2-fluorobenzoate
C11H12ClFO2 (230.05098139999998)
1-[4-(FLUOROMETHYL)PHENYL]-3-HYDROXY-2-PYRAZOLINE
C10H9F3N2O (230.06669399999998)
2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
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-(1,3-Dioxolan-2-yl)-2,6-difluorophenylboronic acid
Benzoic acid,4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-
1-[5-(FLUOROMETHYL)PHENYL]-3-HYDROXY-2-PYRAZOLINE
C10H9F3N2O (230.06669399999998)
6-(4-chlorophenoxy)pyridine-3-carbonitrile
C12H7ClN2O (230.02468819999999)
4,5-DIHYDRONAPHTHO[1,2]THIOPHENE-2-CARBOXYLIC ACID
C13H10O2S (230.04014800000002)
4-FLUORO-3-(TRIFLUOROMETHYL)PHENYLHYDRAZINE HYDROCHLORIDE
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)
2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLHYDRAZINE HYDROCHLORIDE
4-Fluoro-2-(trifluoromethyl)phenylhydrazine hydrochloride
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-(6-chloropyridin-3-yl)-1,3-benzoxazole
C12H7ClN2O (230.02468819999999)
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)
2-chloropyrimido[2,1-a]isoquinolin-4-one
C12H7ClN2O (230.02468819999999)
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
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
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)
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
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
(2E,4Z)-4-(carboxymethylene)-5-hydroxyhept-2-enedioic acid
[4-[(E)-3-hydroxyprop-1-enyl]phenyl] hydrogen sulate
[(E)-3-(4-hydroxyphenyl)prop-2-enyl] hydrogen sulate
[(E)-3-(2-hydroxyphenyl)prop-2-enyl] hydrogen sulate
[(E)-3-(3-hydroxyphenyl)prop-2-enyl] hydrogen sulate
[3-[(E)-3-hydroxyprop-1-enyl]phenyl] hydrogen sulate
2,2,3,3,3-pentafluoro-N-(4H-1,2,4-triazol-4-yl)propanamide
C5H3F5N4O (230.02270079999997)
3-[N-(Pentafluoropropionyl)amino]-3H-1,2,4-triazole
C5H3F5N4O (230.02270079999997)
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
{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
3-(hexa-3,5-dien-1-yn-1-yl)-6-(prop-1-yn-1-yl)-1,2-dithiine
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)
