Exact Mass: 220.01701500000001
Exact Mass Matches: 220.01701500000001
Found 500 metabolites which its exact mass value is equals to given mass value 220.01701500000001,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
purpurogallin
Purpurogallin is a cyclic ketone that is 5H-benzocycloheptene bearing an oxo group at position 5 and hydroxy groups at positions 2, 3, 4 and 6. It has a role as an antibacterial agent, an antioxidant, an EC 1.17.3.2 (xanthine oxidase) inhibitor and a protective agent. It is a tetrol, a cyclic ketone and a member of phenols. It derives from a hydride of a 5H-benzocycloheptene. Purpurogalline is a natural product found in Quercus with data available. Purpurogallin is a naturally phenol extracted from the plants of Quercus spp, has potent xanthine oxidase (XO) inhibitory activity with an IC50 of 0.2 μM. Purpurogallin has antioxidant and anti-inflammatory effects[1][2][3].
Thidiazuron
CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8119; ORIGINAL_PRECURSOR_SCAN_NO 8115 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4000; ORIGINAL_PRECURSOR_SCAN_NO 3997 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3995; ORIGINAL_PRECURSOR_SCAN_NO 3992 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8157; ORIGINAL_PRECURSOR_SCAN_NO 8154 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8104; ORIGINAL_PRECURSOR_SCAN_NO 8102 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8063; ORIGINAL_PRECURSOR_SCAN_NO 8061 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8158; ORIGINAL_PRECURSOR_SCAN_NO 8156 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3985; ORIGINAL_PRECURSOR_SCAN_NO 3983 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4001; ORIGINAL_PRECURSOR_SCAN_NO 3997 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8147; ORIGINAL_PRECURSOR_SCAN_NO 8144 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3963; ORIGINAL_PRECURSOR_SCAN_NO 3962 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3980; ORIGINAL_PRECURSOR_SCAN_NO 3979
3-[6-(Carboxymethylene)cyclohexa-2,4-dien-1-ylidene]-2-oxopropanate
Imidazole acetol-phosphate
Imidazole acetol-phosphate is involved in the histidine biosynthesis I pathway. Imidazole acetol-phosphate is created by the breakdown of D-erythro-imidazole-glycerol-phosphate into imidazole acetol-phosphate and H2O. Imidazoleglycerol-phosphate dehydratase catalyzes this reaction. Imidazole acetol-phosphate reacts with L-glutamate to produce L-histidinol-phosphate and 2-ketoglutarate. Histidinol-phosphate aminotransferase catalyzes this reaction. Imidazole acetol-phosphate is involved in the histidine biosynthesis I pathway. Imidazole acetol-phosphate is created by the breakdown of D-erythro-imidazole-glycerol-phosphate into imidazole acetol-phosphate and H2O. Imidazoleglycerol-phosphate dehydratase catalyzes this reaction.
Phosphoramide mustard
C4H11Cl2N2O2P (219.99351760000002)
Phosphoramide mustard is a metabolite of cyclophosphamide. Cyclophosphamide (trade names Endoxan, Cytoxan, Neosar, Procytox, Revimmune), also known as cytophosphane, is a nitrogen mustard alkylating agent, from the oxazophorines group. An alkylating agent adds an alkyl group (CnH2n+1) to DNA. It attaches the alkyl group to the guanine base of DNA, at the number 7 nitrogen atom of the imidazole ring. It is used to treat various types of cancer and some autoimmune disorders. (Wikipedia) D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
N-Acetyl-S-(N-methylcarbamoyl)cysteine
C7H12N2O4S (220.05177519999998)
N-acetyl-s-(n-methylcarbamoyl)cysteine belongs to the family of N-acyl-alpha Amino Acids and Derivatives. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.
Isophosphamide mustard
C4H11Cl2N2O2P (219.99351760000002)
Isophosphamide mustard is a metabolite of ifosfamide. Ifosfamide (also marketed as Mitoxana and Ifex) is a nitrogen mustard alkylating agent used in the treatment of cancer. It is sometimes abbreviated IFO. (Wikipedia) D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents Same as: D09364
Dracunculin
Dracunculin is found in mugwort. Dracunculin is a constituent of Artemisia dracunculoides (Russian tarragon) Constituent of Artemisia dracunculoides (Russian tarragon). Dracunculin is found in mugwort and pulses.
1-Propenyl 1-(1-propenylthio)propyl disulfide
1-Propenyl 1-(1-propenylthio)propyl disulfide is found in onion-family vegetables. 1-Propenyl 1-(1-propenylthio)propyl disulfide is isolated from the Welsh onion (Allium fistulosum). Isolated from the Welsh onion (Allium fistulosum). 1-Propenyl 1-(1-propenylthio)propyl disulfide is found in onion-family vegetables.
8-Methoxy-6,7-methylenedioxycoumarin
8-Methoxy-6,7-methylenedioxycoumarin is isolated from Artemisia vulgaris (mugwort). Isolated from Artemisia vulgaris (mugwort)
Buntansin A
Buntansin A is found in citrus. Buntansin A is a constituent of Citrus grandis (pummelo) Constituent of Citrus grandis (pummelo). Buntansin A is found in citrus.
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid is found in green vegetables. 7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid is a constituent of Rheum sp Constituent of Rheum species 7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid is found in green vegetables.
Methylpyrogallol sulfate 3
2-methyl-pyrogallol-1-o-sulphate, also known as 2-methoxyresorcinol monosulfate or 2-methylpyrogallol monosulfuric acid, is a member of the class of compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. 2-methyl-pyrogallol-1-o-sulphate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa).
Methylpyrogallol sulfate 2
1-methyl-pyrogallol-3-o-sulphate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa).
(2R)-2-Amino-3-methyl-3-(2-nitrosoacetyl)sulfanylbutanoic acid
C7H12N2O4S (220.05177519999998)
s-Nitroso-n-acetyl-d-penicillamine
C7H12N2O4S (220.05177519999998)
Rapalexin B
Rapalexin b is a member of the class of compounds known as hydroxyindoles. Hydroxyindoles are organic compounds containing an indole moiety that carries a hydroxyl group. Rapalexin b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Rapalexin b can be found in chinese cabbage, which makes rapalexin b a potential biomarker for the consumption of this food product.
2-(3'-methylthio)propylmalate
2-(3-methylthio)propylmalate, also known as 2-hydroxy-2-[3-(methylsulfanyl)propyl]succinate or 2-(3-methylsulfanyl)propylmalic acid, belongs to medium-chain hydroxy acids and derivatives class of compounds. Those are hydroxy acids with a 6 to 12 carbon atoms long side chain. 2-(3-methylthio)propylmalate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 2-(3-methylthio)propylmalate can be found in a number of food items such as broad bean, gram bean, sesbania flower, and cherimoya, which makes 2-(3-methylthio)propylmalate a potential biomarker for the consumption of these food products.
3-(3'-methylthio)propylmalate
3-(3-methylthio)propylmalate, also known as 3-(3-methylsulfanyl)propylmalic acid, belongs to medium-chain hydroxy acids and derivatives class of compounds. Those are hydroxy acids with a 6 to 12 carbon atoms long side chain. 3-(3-methylthio)propylmalate is soluble (in water) and a weakly acidic compound (based on its pKa). 3-(3-methylthio)propylmalate can be found in a number of food items such as elderberry, fig, bitter gourd, and potato, which makes 3-(3-methylthio)propylmalate a potential biomarker for the consumption of these food products.
Sodium Danshensu
Danshensu is isolated from the Chinese herb Salvia miltiorrhiza and inhibits CaCl2-induced vasoconstriction. Danshensu is isolated from the Chinese herb Salvia miltiorrhiza and inhibits CaCl2-induced vasoconstriction.
Sodium Danshensu
Danshensu is isolated from the Chinese herb Salvia miltiorrhiza and inhibits CaCl2-induced vasoconstriction. Danshensu is isolated from the Chinese herb Salvia miltiorrhiza and inhibits CaCl2-induced vasoconstriction.
8-Chlro-1-tetrahydronorharmanone
C11H9ClN2O (220.04033739999997)
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.962 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.960 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.957
2,5,8-dihydroxy-3-methyl-1,4-naphthoquinone|2,5,8-trihydroxy-3-methyl-1,4-naphthoquinone|2,5,8-trihydroxy-3-methyl-[1,4]naphthoquinone|2-methyl-3,5,8-trihydroxy-1,4-naphthoquinone|3,5,8-trihydroxy-2-methyl-1,4-naphthoquinone|8-hydroxydroserone|hydroxydroserone
(2Z,6E)-3-Chloromethyl-1-chloro-7-methylocta-2,6-dien-8-al|8-Chloro-6-chloromethyl-2-methyl-2, 6-octadienal, 9CI
Pisonin E
A member of the class of chromones that is chromone substituted by a hydroxy group at position 5, a methyl group at position 2 and a methylenedioxy group across positions 6 and 7. It has been isolated from Pisonia aculeata.
3-(3-chloroprop-1-yn-1-yl)-3,4-dihydro-1H-isochromen-1-one|gymnopalyne B
8,8a-Dihydro-3-methoxy-5-methyl-1H,6H-furo[3,4-e][1,3,2]dioxaphosphepin 3-oxide
2,2-Dithiodipyridine
C10H8N2S2 (220.01288879999998)
D009676 - Noxae > D016877 - Oxidants
2,4-dichloro-1,5-dimethoxy-3-methylbenzene
C9H10Cl2O2 (220.00578200000004)
(8R,9S)-8-chloro-9-hydroxy-8,9-deoxyaspyrone|chlorohydroaspyrone A
(5-thiophen-2-ylethynyl-thiophen-2-yl)-methanol|2-(Hydroxymethyl)-5-<(2-thienyl)aethinyl>thiophen|2-hydroxymethyl-5-<(2-thienyl)ethynyl>thiophene|2-Hydroxymethyl-5--thiophen|5-(2-Thienylethynyl)-2-thiophenemthanol
4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylic Acid
4-Methyl-2-(pyridin-2-yl)thiazole-5-carboxylic acid
Purpurogallin
Purpurogallin is a cyclic ketone that is 5H-benzocycloheptene bearing an oxo group at position 5 and hydroxy groups at positions 2, 3, 4 and 6. It has a role as an antibacterial agent, an antioxidant, an EC 1.17.3.2 (xanthine oxidase) inhibitor and a protective agent. It is a tetrol, a cyclic ketone and a member of phenols. It derives from a hydride of a 5H-benzocycloheptene. Purpurogalline is a natural product found in Quercus with data available. Purpurogallin is a naturally phenol extracted from the plants of Quercus spp, has potent xanthine oxidase (XO) inhibitory activity with an IC50 of 0.2 μM. Purpurogallin has antioxidant and anti-inflammatory effects[1][2][3].
4-methyl-2-(4-pyridinyl)-5-thiazolecarboxylic acid
3-CarboxyMethyl-quinazoline-2,4-dione
7-hydroxy-2-methyl-4-oxo-4H-chromene-5-carboxylic acid
1-Propenyl 1-(1-propenylthio)propyl disulfide
2-PHENYLIMIDAZOLE-4-CARBODITHIOIC ACID
C10H8N2S2 (220.01288879999998)
5-CHLORO-1-(2-HYDROXY-ETHOXYMETHYL)-1H-PYRIMIDINE-2,4-DIONE
2-(2,6-dichloro-4-methylphenoxy)ethanol
C9H10Cl2O2 (220.00578200000004)
2-(2-BENZOFURANYL)-1H-IMIDAZOLE HCL
C11H9ClN2O (220.04033739999997)
2-(trifluoromethoxy)benzoic acid hydrazide
C8H7F3N2O2 (220.04595980000002)
5-(3-Methyl-butylsulfanyl)-[1,3,4]thiadiazole-2-thiol
C7H12N2S3 (220.01625919999998)
1-(2,4-dichloro-5-fluorophenyl)propan-1-one
C9H7Cl2FO (219.98579639999997)
SODIUM 2-HYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)ACETATE
2-Thiazolecarbothioamide,4-phenyl-
C10H8N2S2 (220.01288879999998)
1-Methyl-1-phenylhydrazinium hydrogen sulfate
C7H12N2O4S (220.05177519999998)
Hydrazinecarbothioamide,2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-
5-(2-PYRIDINYL)-2-THIOPHENECARBOTHIOAMIDE
C10H8N2S2 (220.01288879999998)
Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate 1,1-dioxide
2-Naphthalenecarboxylic acid, 4,6,7-trihydroxy- (9CI)
(3-azaniumyl-4-methylphenyl)azanium,sulfate
C7H12N2O4S (220.05177519999998)
1-[1-(2-chlorophenyl)pyrazol-4-yl]ethanone
C11H9ClN2O (220.04033739999997)
2-OXO-2-(4-(TRIFLUOROMETHYL)PHENYL)ACETALDEHYDE HYDRATE
4,8-dideuteriofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone
Ethanone, 2,2,2-trifluoro-1-[2-(methylthio)phenyl]- (9CI)
4-METHYLBENZENE-1,2-DIAMINE SULFATE
C7H12N2O4S (220.05177519999998)
Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate
C8H7F3N2O2 (220.04595980000002)
3-Hydroxy-3-(2-oxopropyl)-1,3-dihydro-2H-indol-2-one
4-(2-CHLORO-3-PYRIDINYL)-N-METHYL-2-PYRIMIDINAMINE
C10H9ClN4 (220.05157039999997)
8-CHLORO-2,3,4,5-TETRAHYDROPYRIDO[3,2-F][1,4]OXAZEPINE HYDROCHLORIDE
C8H10Cl2N2O (220.01701500000001)
3-Chloro-6-(2-methoxyphenyl)pyridazine
C11H9ClN2O (220.04033739999997)
3-Chloro-4-methoxybenzamidine HCl
C8H10Cl2N2O (220.01701500000001)
6-Chloro-4-cyclopropyl-2(1H)-quinazolinone
C11H9ClN2O (220.04033739999997)
5-CHLORO-1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
C11H9ClN2O (220.04033739999997)
2-(4-chlorophenoxy)ethanimidamide,hydrochloride
C8H10Cl2N2O (220.01701500000001)
6-(2-AMINO-PHENYL)-3-THIOXO-3,4-DIHYDRO-2H-[1,2,4]TRIAZIN-5-ONE
6-CHLORO-2-(METHYLTHIO)-5-NITROPYRIMIDIN-4-AMINE
C5H5ClN4O2S (219.98217400000001)
3aH-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-3-carboxamide
(4-methylphenyl)hydrazine,sulfuric acid
C7H12N2O4S (220.05177519999998)
(2-(2,6-DICHLOROPHENOXY)ETHYL)HYDRAZINE
C8H10Cl2N2O (220.01701500000001)
n-methyl-2-nitro-4-(trifluoromethyl)aniline
C8H7F3N2O2 (220.04595980000002)
2-tert-butyl-4,5-dichloro-2,3-dihydropyridazin-3-one
C8H10Cl2N2O (220.01701500000001)
ETHYL 2-AMINO-3,5,6-TRIFLUOROISONICOTINATE
C8H7F3N2O2 (220.04595980000002)
2-(2-PYRROLIDIN-1-YL-ETHYL)-PIPERIDINE
C7H9ClN2O2S (220.00732440000002)
2-(bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE DIHYDROCHLORIDE
Methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylate
C8H7F3N2O2 (220.04595980000002)
1-(2-chloro-4-pyrazol-1-ylphenyl)ethanone
C11H9ClN2O (220.04033739999997)
Ethyl 4-oxo-4H-pyrido[3,4-d][1,3]oxazine-2-carboxylate
Ethyl 3-(trifluoromethyl)pyrazine-2-carboxylate
C8H7F3N2O2 (220.04595980000002)
1-METHYL-5-PHENYL-1H-PYRAZOLE-3-CARBONYL CHLORIDE
C11H9ClN2O (220.04033739999997)
5-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride
C11H9ClN2O (220.04033739999997)
4-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
C8H7F3N2O2 (220.04595980000002)
3-(CHLOROMETHYL)-5-STYRYL-1,2,4-OXADIAZOLE
C11H9ClN2O (220.04033739999997)
2-Chloro-4-(3-methoxyphenyl)pyrimidine
C11H9ClN2O (220.04033739999997)
2-CHLORO-6-METHYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE
1-(2,4,6-TRIISOPROPYLBENZENESULFONYL)-4-NITROIMIDAZOLE
C9H10Cl2O2 (220.00578200000004)
4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
C8H7F3N2O2 (220.04595980000002)
6-Methoxy-3-oxo-3,4-dihydroquinoxaline-2-carboxylic acid
5-chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehyde
C11H9ClN2O (220.04033739999997)
6-(4-Chlorophenyl)pyrimidine-2,4-diamine
C10H9ClN4 (220.05157039999997)
2-Chloro-4-(4-methoxyphenyl)pyrimidine
C11H9ClN2O (220.04033739999997)
(4-Chlorophenyl)(1-methyl-1H-imidazol-2-yl)methanone
C11H9ClN2O (220.04033739999997)
5-(Trifluoromethoxy)benzo[c][1,2,5]thiadiazole
C7H3F3N2OS (219.99181839999997)
3-CHLORO-6-(4-METHOXYPHENYL)-PYRIDAZINE
C11H9ClN2O (220.04033739999997)
2-amino-4-chloro-5-methylbenzenesulfonamide
C7H9ClN2O2S (220.00732440000002)
2-(trifluoromethyl)-1H-thieno[3,2-d]pyrimidin-4-one
C7H3F3N2OS (219.99181839999997)
(6-Chloro-2-phenylpyrimidin-4-yl)methanol
C11H9ClN2O (220.04033739999997)
2-Methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
C8H7F3N2O2 (220.04595980000002)
6-(4-Chlorophenyl)-5-methyl-4-pyrimidinol
C11H9ClN2O (220.04033739999997)
6-(4-Chlorophenyl)-2-methyl-4-pyrimidinol
C11H9ClN2O (220.04033739999997)
(3-TERT-BUTOXYCARBONYLAMINO-AZETIDIN-1-YL)-FURAN-2-YL-ACETICACID
2-(2-CHLOROPHENOXY)ACETAMIDINE HYDROCHLORIDE
C8H10Cl2N2O (220.01701500000001)
Ethyl 4-(Trifluoromethyl)-5-Pyrimidinecarboxylate
C8H7F3N2O2 (220.04595980000002)
ethyl 4-oxopyrido[2,3-d][1,3]oxazine-2-carboxylate
2-methyl-5-phenylpyrazole-3-carbonyl chloride
C11H9ClN2O (220.04033739999997)
Benzoic acid,2-hydroxy-4-(trifluoromethyl)-, methyl ester
4-Chloro-5-(trifluoromethyl)-1H-pyrrolo(2,3-b)pyridine
4-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
4-Chloro-5-(1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
5-Chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridi ne
C10H9ClN4 (220.05157039999997)
1H-Pyrrolo[2,3-b]pyridine-2,5-dicarboxylic acid, 5-Methyl ester
7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID METHYL ESTER
Thieno[3,2-f]benzothiazole, 2-amino-7-methyl- (6CI)
C10H8N2S2 (220.01288879999998)
Thieno[2,3-g]benzothiazole, 2-amino-8-methyl- (7CI,8CI)
C10H8N2S2 (220.01288879999998)
2-chloro-1-(chloromethyl)-3,4-dimethoxybenzene
C9H10Cl2O2 (220.00578200000004)
4-amino-3-chloro-N-methylbenzenesulfonamide
C7H9ClN2O2S (220.00732440000002)
6-Methoxy-4-(trifluoromethyl)nicotinamide
C8H7F3N2O2 (220.04595980000002)
1-[1-(3-chlorophenyl)pyrazol-4-yl]ethanone
C11H9ClN2O (220.04033739999997)
1-[1-(4-chlorophenyl)pyrazol-4-yl]ethanone
C11H9ClN2O (220.04033739999997)
5-METHYL-2-PHENYL-2H-PYRAZOLE-3-CARBONYL CHLORIDE
C11H9ClN2O (220.04033739999997)
6-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
4-Chloro-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
3-(Carboxymethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
2-(Methoxycarbonyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
1-Methyl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid
Ethyl6-(trifluoromethyl)pyridazine-3-carboxylate
C8H7F3N2O2 (220.04595980000002)
5-Pyrimidinecarboxylicacid,2-ethyl-4-(trifluoromethyl)-(9CI)
C8H7F3N2O2 (220.04595980000002)
3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxylic acid
1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
1-METHYL-4-PHENYL-1H-IMIDAZOLE-5-CARBONYL CHLORIDE
C11H9ClN2O (220.04033739999997)
5-Amino-2-(4-chlorophenoxy)pyridine
C11H9ClN2O (220.04033739999997)
2-Propanol,1-(2,4-dichlorophenoxy)-
C9H10Cl2O2 (220.00578200000004)
N-tert-butyl-4,6-dichloro-1,3,5-triazin-2-amine
C7H10Cl2N4 (220.02824800000002)
4-Chloro-N-ethyl-3-pyridinesulfonamide
C7H9ClN2O2S (220.00732440000002)
5-PENTYLTHIO-1,3,4-THIADIAZOLE-2-THIOL
C7H12N2S3 (220.01625919999998)
4-(METHYLTHIO)-6-PYRAZIN-2-YL-1,3,5-TRIAZIN-2-AMINE
5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
C11H6ClFN2 (220.02035180000001)
3-methyl-1-vinyl-1H-imidazolium methyl sulphate
C7H12N2O4S (220.05177519999998)
3H-IMidazo[4,5-b]pyridine-2-MethanaMine (hydrochloride)(1:2)
C7H10Cl2N4 (220.02824800000002)
1(4H)-Pyridinecarbothioamide,4-ethynyl-3,5-diformyl-
4-(trifluoromethoxy)benzoic acid hydrazide
C8H7F3N2O2 (220.04595980000002)
2-[(2,6-Dichlorobenzyl)oxy]ethanol
C9H10Cl2O2 (220.00578200000004)
1-(4-CHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE
C11H9ClN2O (220.04033739999997)
6-(Trifluoromethyl)imidazo[2,1-b]thiazole-5-carbaldehyde
C7H3F3N2OS (219.99181839999997)
7-CHLORO-2,3-DIHYDROPYRROLO[2,1-B]QUINAZOLIN-9(1H)-ONE
C11H9ClN2O (220.04033739999997)
4,6-dichloro-N,N-diethyl-1,3,5-triazin-2-amine
C7H10Cl2N4 (220.02824800000002)
2-Chloro-5-(4-methoxyphenyl)pyrimidine
C11H9ClN2O (220.04033739999997)
6-(Chloromethyl)-2-phenylpyrimidin-4-ol
C11H9ClN2O (220.04033739999997)
6-chloro-4-N-phenylpyrimidine-4,5-diamine
C10H9ClN4 (220.05157039999997)
2-AMINODIPYRIDO[1,2-A:3,2-D]IMIDAZOLE, HYDROCHLORIDE
C10H9ClN4 (220.05157039999997)
1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one
4-METHYL-2-OXO-6-(TRIFLUOROMETHYL)-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE
C8H7F3N2O2 (220.04595980000002)
N-Acetyl-3-(nitrososulfanyl)valine
C7H12N2O4S (220.05177519999998)
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors > D026403 - S-Nitrosothiols D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D004791 - Enzyme Inhibitors
S-Nitroso-N-acetylpenicillamine
C7H12N2O4S (220.05177519999998)
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors > D026403 - S-Nitrosothiols D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D004791 - Enzyme Inhibitors
Tyrphostin 47
D000970 - Antineoplastic Agents > D020032 - Tyrphostins D004791 - Enzyme Inhibitors
2,6,7-Trihydroxy-3-methylnaphthalene-1,4-dione
A naphthoquinone that is naphthalene-1,4-dione substituted by hydroxy groups at positions 2, 6 and 7 and a methyl group at position 3. It has been isolated from Penicillium purpurogenum.
Palifosfamide
C4H11Cl2N2O2P (219.99351760000002)
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents Same as: D09364
aldioxa
C78284 - Agent Affecting Integumentary System > C29700 - Astringent D005765 - Gastrointestinal Agents > D000863 - Antacids D003879 - Dermatologic Agents > D001252 - Astringents
8-Chloro-2,3,4,9-tetrahydro-1h-beta-carbolin-1-one
C11H9ClN2O (220.04033739999997)
2-hydroxy-3-[3-(methylsulfanyl)propyl]butanedioate
C8H12O5S-2 (220.04054219999998)
L-histidinol phosphate(1-)
C6H11N3O4P- (220.04871559999998)
Conjugate base of L-histidinol phosphate having an anionic phosphate and a catoinic amino group; major species at pH 7.3.
4-Amino-2-(methanethioyl)-5-oxo-3-sulfanylpyrrolidine-2-carboxylate
4-Amino-2-methanethioyl-5-oxo-3-sulfanylpyrrolidine-2-carboxylic acid
(Z)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethioamide
D000970 - Antineoplastic Agents > D020032 - Tyrphostins D004791 - Enzyme Inhibitors
(5E)-5-(4-hydroxybenzylidene)-2-imino-1,3-thiazolidin-4-one
Z-5-(4-Hydroxybenzylidene)-2-imino-1,3-thiazolidin-4-one
(2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid
3-(2-bromoethyl)-5,5-dimethyldihydro-2(3H)-furanone
2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3-carboxylic acid
Phosphoramide mustard
C4H11Cl2N2O2P (219.99351760000002)
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
2-Methoxyresorcinol sulfate
An aryl sulfate that is pyrogallol in which the phenolic hydrogens at positions 1 and 2 are replaced by sulfo and methyl groups respectively.
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid
3-(Imidazol-4-yl)-2-oxopropyl dihydrogen phosphate
N-Acetyl-S-(N-methylcarbamoyl)-cysteine
C7H12N2O4S (220.05177519999998)
9-chloro-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,5-diol
(5s,6r)-3-[(1s,2s)-2-chloro-1-hydroxypropyl]-5-hydroxy-6-methyl-5,6-dihydropyran-2-one
3-(1-chloro-2-hydroxypropyl)-5-(1-hydroxyethyl)-5h-furan-2-one
3-(2-chloro-1-hydroxypropyl)-5-(1-hydroxyethyl)-5h-furan-2-one
5-carboxy-7-hydroxy-2-methyl-benzopyran-γ-one
{"Ingredient_id": "HBIN011488","Ingredient_name": "5-carboxy-7-hydroxy-2-methyl-benzopyran-\u03b3-one","Alias": "NA","Ingredient_formula": "C11H8O5","Ingredient_Smile": "CC1=CC(=O)C2=C(O1)C=C(C=C2C(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14578","TCMID_id": "3173","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}