Exact Mass: 220.0463
Exact Mass Matches: 220.0463
Found 319 metabolites which its exact mass value is equals to given mass value 220.0463,
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].
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
N-Acetyl-S-(N-methylcarbamoyl)cysteine
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.
2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene
2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene is found in herbs and spices. 2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene is isolated from Chrysanthemum coronarium (chop-suey greens Isolated from Chrysanthemum coronarium (chop-suey greens). 2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene is found in herbs and spices.
Chrycorin
Chrycorin is found in herbs and spices. Chrycorin is isolated from Chrysanthemum coronarium (chop-suey greens Isolated from Chrysanthemum coronarium (chop-suey greens). Chrycorin is found in herbs and spices.
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.
(2R)-2-Amino-3-methyl-3-(2-nitrosoacetyl)sulfanylbutanoic acid
s-Nitroso-n-acetyl-d-penicillamine
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.
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
cis,cis-5-Methylmercapto-decadien-(2,4)-diin-(6,8)-saeure-(1)-methylester|cis,cis-5-Methylmercapto-decadien-(2,4)-diin-(6,8)-saeuremethylester
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
7-Methylmercapto-decadien-(2t,6t)-diin-(4,8)-saeure-(1)-methylester|methyl (1E,5Z)-6-(methylthio)-1,5-nonadiene-3,7-diyne carboxylate
(2Z,6E)-3-Chloromethyl-1-chloro-7-methylocta-2,6-dien-8-al|8-Chloro-6-chloromethyl-2-methyl-2, 6-octadienal, 9CI
9-Methylmercapto-decadien-(trans-2,cis-8)-diin-(4,6)-saeure-methylester|cis,trans-9-Methylmercapto-decadien-(2,8)-diin-(4,6)-saeuremethylester|trans,trans-9-Methylmercapto-decadien-(2,8)-diin-(4,6)-saeure-methylester
2-cis,4-trans-4-Methylmercapto-deca-2,4-dien-6,8-diin-saeuremethylester|2-cis,4-trans-4-Methylmercapto-decadien-(2,4)-diin-(6,8)-saeuremethylester|Me ester-(2Z,4Z)-4-Methylthio-2,4-decadiene-6,8-diynoic acid
8,8a-Dihydro-3-methoxy-5-methyl-1H,6H-furo[3,4-e][1,3,2]dioxaphosphepin 3-oxide
9-Methylmercaptodecatetraen-(2c,6,7,8)-in-(4)-saeuremethylester
(8R,9S)-8-chloro-9-hydroxy-8,9-deoxyaspyrone|chlorohydroaspyrone A
<5-(5-Methyl-2-thienyl)-pent-2t-en-4-inyl>-acetat|[5-(5-Methyl-2-thienyl)-pent-2t-en-4-inyl]-acetat
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-CarboxyMethyl-quinazoline-2,4-dione
2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene
7-hydroxy-2-methyl-4-oxo-4H-chromene-5-carboxylic acid
1-Propenyl 1-(1-propenylthio)propyl disulfide
5-Fluoro-6-hydroxy-naphthalene-1-carboxylic acid methyl ester
Hydrazinecarbothioamide,2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-
Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate 1,1-dioxide
2-Naphthalenecarboxylic acid, 4,6,7-trihydroxy- (9CI)
1-(2,6-DIFLUOROBENZYL)-1H-1,2,3-TRIAZOLE-4-CARBONITRILE
2-[methoxy(methylsulfanyl)methylidene]-3H-inden-1-one
4-(2-CHLORO-3-PYRIDINYL)-N-METHYL-2-PYRIMIDINAMINE
5-CHLORO-1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
5-(4-fluorophenyl)-2-methylfuran-3-carboxylic acid
2-Chloro-1,3-Dimethylimidazolidinium Tetrafluoroborate
6-(2-AMINO-PHENYL)-3-THIOXO-3,4-DIHYDRO-2H-[1,2,4]TRIAZIN-5-ONE
3aH-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-3-carboxamide
2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE DIHYDROCHLORIDE
Methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylate
Ethyl 4-oxo-4H-pyrido[3,4-d][1,3]oxazine-2-carboxylate
4-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
6-Methoxy-3-oxo-3,4-dihydroquinoxaline-2-carboxylic acid
5-chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehyde
(4-Chlorophenyl)(1-methyl-1H-imidazol-2-yl)methanone
2-Methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
ethyl 4-oxopyrido[2,3-d][1,3]oxazine-2-carboxylate
5-Chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridi ne
1H-Pyrrolo[2,3-b]pyridine-2,5-dicarboxylic acid, 5-Methyl ester
7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID METHYL ESTER
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
5-Pyrimidinecarboxylicacid,2-ethyl-4-(trifluoromethyl)-(9CI)
1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
1-METHYL-4-PHENYL-1H-IMIDAZOLE-5-CARBONYL CHLORIDE
4-(METHYLTHIO)-6-PYRAZIN-2-YL-1,3,5-TRIAZIN-2-AMINE
5-(3-FLUOROPHENYL)FURAN-2-CARBOXYLIC ACID METHYL ESTER
5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
3-Methyl-5,6,7,8-tetrahydro-[1,6]naphthyridine dihydrochloride
(R)-5,6,7,8-Tetrahydro-quinolin-8-ylamine dihydrochloride
1,2,3,4-tetrahydroisoquinolin-4-amine,dihydrochloride
1-(4-CHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE
1-Methyl-1,2,3,4-tetrahydroquinoxaline dihydrochloride
7-CHLORO-2,3-DIHYDROPYRROLO[2,1-B]QUINAZOLIN-9(1H)-ONE
2-AMINODIPYRIDO[1,2-A:3,2-D]IMIDAZOLE, HYDROCHLORIDE
1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one
4-METHYL-2-OXO-6-(TRIFLUOROMETHYL)-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE
N-Acetyl-3-(nitrososulfanyl)valine
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
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
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
L-histidinol phosphate(1-)
Conjugate base of L-histidinol phosphate having an anionic phosphate and a catoinic amino group; major species at pH 7.3.
2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3-carboxylic acid
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid
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
(2s,3r)-2-[(1e)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxolan-3-ol
methyl (2e,6z)-7-(methylsulfanyl)deca-2,6-dien-4,8-diynoate
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"}
