Exact Mass: 220.0306
Exact Mass Matches: 220.0306
Found 210 metabolites which its exact mass value is equals to given mass value 220.0306,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 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].
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.
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.
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.
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
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
3-(3-chloroprop-1-yn-1-yl)-3,4-dihydro-1H-isochromen-1-one|gymnopalyne B
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
7-hydroxy-2-methyl-4-oxo-4H-chromene-5-carboxylic acid
5-CHLORO-1-(2-HYDROXY-ETHOXYMETHYL)-1H-PYRIMIDINE-2,4-DIONE
SODIUM 2-HYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)ACETATE
Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate 1,1-dioxide
2-Naphthalenecarboxylic acid, 4,6,7-trihydroxy- (9CI)
2-OXO-2-(4-(TRIFLUOROMETHYL)PHENYL)ACETALDEHYDE HYDRATE
3-Hydroxy-3-(2-oxopropyl)-1,3-dihydro-2H-indol-2-one
5-CHLORO-1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
2-(bromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
5-chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehyde
(4-Chlorophenyl)(1-methyl-1H-imidazol-2-yl)methanone
(3-TERT-BUTOXYCARBONYLAMINO-AZETIDIN-1-YL)-FURAN-2-YL-ACETICACID
Benzoic acid,2-hydroxy-4-(trifluoromethyl)-, methyl ester
7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID METHYL ESTER
3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxylic acid
1-METHYL-4-PHENYL-1H-IMIDAZOLE-5-CARBONYL CHLORIDE
3H-IMidazo[4,5-b]pyridine-2-MethanaMine (hydrochloride)(1:2)
1(4H)-Pyridinecarbothioamide,4-ethynyl-3,5-diformyl-
1-(4-CHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE
7-CHLORO-2,3-DIHYDROPYRROLO[2,1-B]QUINAZOLIN-9(1H)-ONE
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.
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
2-hydroxy-3-[3-(methylsulfanyl)propyl]butanedioate
(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
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid
3-(Imidazol-4-yl)-2-oxopropyl dihydrogen phosphate
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"}
