Exact Mass: 220.0561648
Exact Mass Matches: 220.0561648
Found 500 metabolites which its exact mass value is equals to given mass value 220.0561648,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Canthin-6-one
Canthin-6-one is an indole alkaloid that is 6H-indolo[3,2,1-de][1,5]naphthyridine substituted by an oxo group at position 6. It has a role as a metabolite and an antimycobacterial drug. It is an indole alkaloid, an organic heterotetracyclic compound and an enone. Canthin-6-one is a natural product found in Zanthoxylum mayu, Zanthoxylum ovalifolium, and other organisms with data available. D016573 - Agrochemicals D010575 - Pesticides Canthin-6-one displays a wide range of biological activities, such as antimycobacterial activity[1]. Canthin-6-one displays a wide range of biological activities, such as antimycobacterial activity[1].
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
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.
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.
L-beta-aspartyl-L-serine
L-beta-aspartyl-l-serine is a proteolytic breakdown product of larger proteins. It 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. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB]
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.
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.
Brassitin
C11H12N2OS (220.06703019999998)
Stress metabolite from Japanese radish Daikon (Raphanus sativus variety hortensis, Cruciferae), inoculated with Pseudomonas cichorii. Brassitin is found in brassicas and root vegetables. Brassitin is found in brassicas. Brassitin is a stress metabolite from Japanese radish Daikon (Raphanus sativus var. hortensis, Cruciferae), inoculated with Pseudomonas cichorii.
Isoeugenitin
Constituent of Eugenia caryophyllata (clove). Isoeugenitin is found in herbs and spices and cloves. Isoeugenitin is found in cloves. Isoeugenitin is a constituent of Eugenia caryophyllata (clove)
Hispolone
Hispolone is found in mushrooms. Hispolone is isolated from the mushroom Inonotus hispidus, of uncertain palatability. Isolated from the mushroom Inonotus hispidus, of uncertain palatability. Hispolone is found in mushrooms. Hispolon, a polyphenol, can be isolated from Phellinus linteus. Hispolon possesses anticancer, antidiabetic, antioxidant, antiviral, hepatoprotective, anti-diabetic, and anti-inflammatory activities[1].
Eugenitin
From Eugenia caryophyllata (clove). Eugenitin is found in herbs and spices and cloves. Eugenitin is found in cloves. Eugenitin is from Eugenia caryophyllata (clove
Dehydroxyzyleuton
C11H12N2OS (220.06703019999998)
Dehydroxyzyleuton is only found in individuals that have used or taken Zileuton. Dehydroxyzyleuton is a metabolite of Zileuton. Dehydroxyzyleuton belongs to the family of Benzothiophenes. These are organic compounds containing a benzene fused to a thiepine ring (a five-member ring with six carbon atoms and one sulfur atom).
Aspartyl-Serine
Aspartyl-Serine is a dipeptide composed of aspartate and serine. 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.
Serylaspartic acid
Serylaspartic acid is a dipeptide composed of serine and aspartic acid. 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.
3-Hydroxy-3-carboxymethyl-adipic acid
3-Hydroxy-3-carboxymethyl-adipic acid belongs to the family of Tricarboxylic Acids and Derivatives. These are organic compounds containing three carboxylic acid groups (or salt/ester derivatives thereof)
(2R)-2-Amino-3-methyl-3-(2-nitrosoacetyl)sulfanylbutanoic acid
C7H12N2O4S (220.05177519999998)
1-Fluoro-3-(2-methylphenyl)uracil
C11H9FN2O2 (220.06480259999998)
1,9-Pyrazoloanthrone
p-Hydroxylevamisole
C11H12N2OS (220.06703019999998)
s-Nitroso-n-acetyl-d-penicillamine
C7H12N2O4S (220.05177519999998)
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.
Cyclosordariolone, (rac)-
A natural product found in Pestalotiopsis virgatula.
2-(3-(Pyrazin-2-yl)-1,2,4-oxadiazol-5-yl)acetohydrazide
2-(4-Morpholinyl)benzothiazole
C11H12N2OS (220.06703019999998)
CONFIDENCE standard compound; INTERNAL_ID 2877 CONFIDENCE standard compound; INTERNAL_ID 8841
6,7-Dimethoxy-4-methylcoumarin
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.896 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.894
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
3-Methyl-9-hydroxy-2,5-dihydro-1-benzoxepin-7-carboxylic acid
cis,cis-5-Methylmercapto-decadien-(2,4)-diin-(6,8)-saeure-(1)-methylester|cis,cis-5-Methylmercapto-decadien-(2,4)-diin-(6,8)-saeuremethylester
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
(3xi,4E,10R)-3,10-Dihydroxy-4,11-dodecadiene-6,8-diynoic acid
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
(E,E)-5-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)penta-2,4-dienal|6-<4-formylbuta-1(E),3(E)-dienyl>-4-methoxy-5-methyl-2H-pyran-2-one|citreopyrone A
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
(1S,3aR,9aS)-1,8-dihydroxy-1,2,3,3a-tetrahydrocyclopenta[b]chromen-9(9aH)-one|diaportheone B
(S)-penipratynolene|methyl 4-(2-hydroxybutynoxy)benzoate
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
2-hydroxy-4-hydroxymethyl-3-(4-hydroxyphenyl)cyclopent-2-enone
(8R,9S)-8-chloro-9-hydroxy-8,9-deoxyaspyrone|chlorohydroaspyrone A
(-)-deoxyradicinin|4-deoxyradicinin|deoxyradicinin
1-Aldehyde-3-(3,4-Dihydroxy-3-methyl-1-butynyl)-4-hydroxybenzoic acid|4-hydroxy-3-(3,4-dihydroxy-3-methylbut-1-ynyl)benzaldehyde
<5-(5-Methyl-2-thienyl)-pent-2t-en-4-inyl>-acetat|[5-(5-Methyl-2-thienyl)-pent-2t-en-4-inyl]-acetat
2,3-Dihydro-4-hydroxy-3-(1-methylethenyl)-5-benzofurancarboxylic acid
dimethyl citrate
Dimethylurea/citric acid is a highly efficient deep eutectic solvent (DES). Dimethylurea/citric acid can be used as a catalyst and a green reaction medium for the synthesis of?bis(indolyl)methanes, quinolines and aryl-4, 5-diphenyl-1H-imidazoles.
5,7-Dimethoxy-4-methylcoumarin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.092 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.089
3-hydroxy-5-methoxy-3-methoxycarbonyl-5-oxopentanoic acid
eugenitin
A natural product found in Cyperus teneriffae.
Asp-ser
A dipeptide composed of L-aspartic acid and L-serine joined by a peptide linkage.
Ser-asp
A dipeptide formed from L-serine and L-aspartic acid residues.
3-CarboxyMethyl-quinazoline-2,4-dione
2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene
1-Propenyl 1-(1-propenylthio)propyl disulfide
Hispolone
Hispolon, a polyphenol, can be isolated from Phellinus linteus. Hispolon possesses anticancer, antidiabetic, antioxidant, antiviral, hepatoprotective, anti-diabetic, and anti-inflammatory activities[1].
4-(BENZO[D][1,3]DIOXOL-5-YLMETHYL)DIHYDROFURAN-2(3H)-ONE
7-(4-Morpholinyl)thieno[2,3-c]pyridine
C11H12N2OS (220.06703019999998)
6-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
C11H12N2OS (220.06703019999998)
5-Fluoro-6-hydroxy-naphthalene-1-carboxylic acid methyl ester
2-(2-BENZOFURANYL)-1H-IMIDAZOLE HCL
C11H9ClN2O (220.04033739999997)
2-(trifluoromethoxy)benzoic acid hydrazide
C8H7F3N2O2 (220.04595980000002)
2-(6-METHOXY-3-OXO-2,3-DIHYDRO-1H-INDEN-1-YL)ACETIC ACID
1-(3-[(3-METHYLPIPERIDIN-1-YL)METHYL]PHENYL)METHANAMINE
C11H12N2OS (220.06703019999998)
1-Methyl-1-phenylhydrazinium hydrogen sulfate
C7H12N2O4S (220.05177519999998)
1-(1-methylpyrazol-4-yl)-4-oxopyridazine-3-carboxylic acid
Hydrazinecarbothioamide,2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-
Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate 1,1-dioxide
(3-azaniumyl-4-methylphenyl)azanium,sulfate
C7H12N2O4S (220.05177519999998)
1-[1-(2-chlorophenyl)pyrazol-4-yl]ethanone
C11H9ClN2O (220.04033739999997)
6-METHOXY-2H-CHROMENE-3-CARBOXYLIC ACID METHYL ESTER
7-METHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
C11H12N2OS (220.06703019999998)
4-METHYLBENZENE-1,2-DIAMINE SULFATE
C7H12N2O4S (220.05177519999998)
1-(2,6-DIFLUOROBENZYL)-1H-1,2,3-TRIAZOLE-4-CARBONITRILE
C10H6F2N4 (220.05604999999997)
Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate
C8H7F3N2O2 (220.04595980000002)
2-[methoxy(methylsulfanyl)methylidene]-3H-inden-1-one
4-(2-CHLORO-3-PYRIDINYL)-N-METHYL-2-PYRIMIDINAMINE
C10H9ClN4 (220.05157039999997)
3-Chloro-6-(2-methoxyphenyl)pyridazine
C11H9ClN2O (220.04033739999997)
6-Chloro-4-cyclopropyl-2(1H)-quinazolinone
C11H9ClN2O (220.04033739999997)
5-CHLORO-1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
C11H9ClN2O (220.04033739999997)
5-(4-fluorophenyl)-2-methylfuran-3-carboxylic acid
2-Chloro-1,3-Dimethylimidazolidinium Tetrafluoroborate
2,2-DIMETHYL-5,5-DIPROP-2-YNYL-1,3-DIOXANE-4,6-DIONE
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
(4-methylphenyl)hydrazine,sulfuric acid
C7H12N2O4S (220.05177519999998)
1-(4-FLUOROPHENYL)-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
C11H9FN2O2 (220.06480259999998)
3-[Chloro(dimethyl)silyl]propyl methacrylate
C9H17ClO2Si (220.06862920000003)
n-methyl-2-nitro-4-(trifluoromethyl)aniline
C8H7F3N2O2 (220.04595980000002)
ETHYL 2-AMINO-3,5,6-TRIFLUOROISONICOTINATE
C8H7F3N2O2 (220.04595980000002)
2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE DIHYDROCHLORIDE
1-(4-FLUORO-PHENYL)-3,3-BIS-METHYLSULFANYL-PROPENONE
C11H9FN2O2 (220.06480259999998)
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)
4-(4-ethoxyphenyl)-1,3-thiazol-2-amine
C11H12N2OS (220.06703019999998)
4-(Methylamino)-3-nitro-1,5-naphthyridin-2(1H)-one
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)
3-CHLORO-6-(4-METHOXYPHENYL)-PYRIDAZINE
C11H9ClN2O (220.04033739999997)
3-Benzofurancarboxylicacid, 5-hydroxy-2-methyl-, ethyl ester
(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)
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)
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
6-Methoxy-4-(trifluoromethyl)nicotinamide
C8H7F3N2O2 (220.04595980000002)
1-(4-BROMOPHENYL)-2-OXOPYRROLIDINE-3-CARBOXYLICACID
C11H9FN2O2 (220.06480259999998)
1-chloro-5,7-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde
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)
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)
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)
3-Fluoro-4-(4-methyl-1H-imidazol-1-yl)benzoic acid
C11H9FN2O2 (220.06480259999998)
3-(4-METHOXYPHENYL)-4-METHYLISOTHIAZOL-5-AMINE
C11H12N2OS (220.06703019999998)
2-(4-Fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid
C11H9FN2O2 (220.06480259999998)
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
1-(4-fluorophenyl)-5-methylpyrazole-4-carboxylic acid
C11H9FN2O2 (220.06480259999998)
3-methyl-1-vinyl-1H-imidazolium methyl sulphate
C7H12N2O4S (220.05177519999998)
(1S,2R)‐rel-2‐[(benzyloxy)carbonyl]cyclopropane‐1‐carboxylic acid
3-Methyl-5,6,7,8-tetrahydro-[1,6]naphthyridine dihydrochloride
(R)-5,6,7,8-Tetrahydro-quinolin-8-ylamine dihydrochloride
4-(trifluoromethoxy)benzoic acid hydrazide
C8H7F3N2O2 (220.04595980000002)
4-(4-Methoxy-phenyl)-5-methyl-thiazol-2-ylamine
C11H12N2OS (220.06703019999998)
4-(4-Isothiocyanatophenyl)morpholine
C11H12N2OS (220.06703019999998)
5-amino-N,N-dimethyl-1-benzothiophene-2-carboxamide
C11H12N2OS (220.06703019999998)
1,2,3,4-tetrahydroisoquinolin-4-amine,dihydrochloride
1-(4-CHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE
C11H9ClN2O (220.04033739999997)
1-Methyl-1,2,3,4-tetrahydroquinoxaline dihydrochloride
7-CHLORO-2,3-DIHYDROPYRROLO[2,1-B]QUINAZOLIN-9(1H)-ONE
C11H9ClN2O (220.04033739999997)
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
7-METHOXY-2H-CHROMENE-3-CARBOXYLIC ACID METHYL ESTER
4-METHYL-2-OXO-6-(TRIFLUOROMETHYL)-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE
C8H7F3N2O2 (220.04595980000002)
1,2-Cyclopropanedicarboxylic acid, 1-(4-methylphenyl)-
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
Phenol, 4-(2,3,5,6-tetrahydroimidazo[2,1-b]thiazol-6-yl)-
C11H12N2OS (220.06703019999998)
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
Purpurester B
A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one substituted by hydroxy groups at positions 5 and 6, a methyl group at position 7 and a propylidene group at position 3. It has been isolated from Penicillium purpurogenum.
N-ethyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxamide
C11H12N2OS (220.06703019999998)
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)
4-Hydroxy-2-(1-methylethenyl)-2,3-dihydrobenzofuran-5-carboxylic acid
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.
Hispolon
Hispolon, a polyphenol, can be isolated from Phellinus linteus. Hispolon possesses anticancer, antidiabetic, antioxidant, antiviral, hepatoprotective, anti-diabetic, and anti-inflammatory activities[1].
4-Amino-5-(2-aminoacetyl)peroxy-5-oxopentanoic acid
1-(3,9-Dihydroxy-1,3-dihydrobenzo[c]oxepin-3-yl)ethanone, (rac)-
A natural product found in Pestalotiopsis virgatula.
2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3-carboxylic acid
(S)-2-((S)-2-Amino-3-hydroxyPropanamido)succinic acid
alpha-Keto-gamma-(methylthio)butyric acid, trimethylsilyl ester
C8H16O3SSi (220.05893860000003)
4-Hydroxy-4-(1-oxo-2,4,6-cycloheptatrien-2-yl)-2-butenoic acid methyl ester
2,3-Dihydro-3-oxo-8H-cyclohepta[b]furan-2-acetic acid methyl ester
canthinone
Canthin-6-one is an indole alkaloid that is 6H-indolo[3,2,1-de][1,5]naphthyridine substituted by an oxo group at position 6. It has a role as a metabolite and an antimycobacterial drug. It is an indole alkaloid, an organic heterotetracyclic compound and an enone. Canthin-6-one is a natural product found in Zanthoxylum mayu, Zanthoxylum ovalifolium, and other organisms with data available. An indole alkaloid that is 6H-indolo[3,2,1-de][1,5]naphthyridine substituted by an oxo group at position 6. D016573 - Agrochemicals D010575 - Pesticides Canthin-6-one displays a wide range of biological activities, such as antimycobacterial activity[1]. Canthin-6-one displays a wide range of biological activities, such as antimycobacterial activity[1].
3-methylbenzylsuccinate(2-)
A dicarboxylic acid dianion resulting from the deprotonation of the two carboxy groups of 3-methylbenzylsuccinic acid; Major species at pH 7.3.
[1-(1-benzothiophen-2-yl)ethyl]urea
C11H12N2OS (220.06703019999998)
N-Acetyl-S-(N-methylcarbamoyl)-cysteine
C7H12N2O4S (220.05177519999998)
9-chloro-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,5-diol
2,7-dihydroxy-2-methyl-4-(prop-1-en-1-yl)-1-benzofuran-3-one
(2r)-2,7-dihydroxy-2-methyl-4-[(1e)-prop-1-en-1-yl]-1-benzofuran-3-one
2-ethyl-6-(prop-1-en-1-yl)-2h-furo[3,2-c]pyran-3,4-dione
(5s,6r)-3-[(1s,2s)-2-chloro-1-hydroxypropyl]-5-hydroxy-6-methyl-5,6-dihydropyran-2-one
2,2-dimethyl-4-oxo-3h-1-benzopyran-6-carboxylic acid
(2s,3r)-3-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylic acid
3-(1-chloro-2-hydroxypropyl)-5-(1-hydroxyethyl)-5h-furan-2-one
6-hydroxy-8-methoxy-3-methyl-1h-isochromene-7-carbaldehyde
(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
(2r)-5-hydroxy-2-(hydroxymethyl)-2-methyl-3h-naphthalene-1,4-dione
methyl 4-{[(2r)-2-hydroxybut-3-yn-1-yl]oxy}benzoate
2,6-dihydroxy-2-methyl-7-(prop-1-en-1-yl)-1-benzofuran-3-one
3-(2-chloro-1-hydroxypropyl)-5-(1-hydroxyethyl)-5h-furan-2-one
2-hydroxy-l,2,3-propanetricarboxylicacid-1,3-dimethylester
{"Ingredient_id": "HBIN005807","Ingredient_name": "2-hydroxy-l,2,3-propanetricarboxylicacid-1,3-dimethylester","Alias": "NA","Ingredient_formula": "C8H12O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10661","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,7-dihydroxy-5-methyl-2h-1-benzopyran-2-one,9ci; di-me ether
{"Ingredient_id": "HBIN010096","Ingredient_name": "4,7-dihydroxy-5-methyl-2h-1-benzopyran-2-one,9ci; di-me ether","Alias": "NA","Ingredient_formula": "C12H12O4","Ingredient_Smile": "NA","Ingredient_weight": "220.22","OB_score": "NA","CAS_id": "53377-54-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7896","PubChem_id": "NA","DrugBank_id": "NA"}
methyl (4z)-4-(methylsulfanyl)deca-2,4-dien-6,8-diynoate
(3s,6r,7r)-6,10-dihydroxy-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-trien-8-one
5,7-dimethoxy-4-methyl-3-methylidene-2-benzofuran-1-one
(5r)-2-(thiophen-2-ylmethylidene)-1,6-dioxaspiro[4.4]non-3-ene
methyl (2z,4e)-5-(methylsulfanyl)deca-2,4-dien-6,8-diynoate
methyl 4-{[(2s)-2-hydroxybut-3-yn-1-yl]oxy}benzoate
methyl (2z,6e)-7-(methylsulfanyl)deca-2,6-dien-4,8-diynoate
5-(5-methylthiophen-2-yl)pent-2-en-4-yn-1-yl acetate
methyl (2z,6z)-7-(methylsulfanyl)deca-2,6-dien-4,8-diynoate
3-[(3s)-3,4-dihydroxy-3-methylbut-1-yn-1-yl]-4-hydroxybenzaldehyde
(5r)-3-[(1r,2s)-1-chloro-2-hydroxypropyl]-5-[(1s)-1-hydroxyethyl]-5h-furan-2-one
3,4-dihydroxy-5-(3-methyl-4-oxobut-2-en-1-yl)benzaldehyde
(4s)-2-hydroxy-4-(hydroxymethyl)-3-(4-hydroxyphenyl)cyclopent-2-en-1-one
(5r)-5-[(1s,2s,3r)-3-chloro-1,2-dihydroxybutyl]-3-methyl-5h-furan-2-one
3,4-dihydroxy-5-[(2e)-3-methyl-4-oxobut-2-en-1-yl]benzaldehyde
3-hydroxy-1-(5-methoxy-1-benzofuran-6-yl)propan-1-one
6,10-dihydroxy-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-trien-8-one
(2e,5r)-2-(thiophen-2-ylmethylidene)-1,6-dioxaspiro[4.4]non-3-ene
3-(2-chloro-3-hydroxybutylidene)-4-hydroxy-5-methyloxolan-2-one
n-(1h-indol-3-ylmethyl)methylsulfanylcarboximidic acid
C11H12N2OS (220.06703019999998)