Exact Mass: 220.0655
Exact Mass Matches: 220.0655
Found 500 metabolites which its exact mass value is equals to given mass value 220.0655,
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].
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.
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.
Brassitin
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].
Dehydroxyzyleuton
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
1-Fluoro-3-(2-methylphenyl)uracil
1,9-Pyrazoloanthrone
s-Nitroso-n-acetyl-d-penicillamine
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
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
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
(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
3-CarboxyMethyl-quinazoline-2,4-dione
2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene
4-(BENZO[D][1,3]DIOXOL-5-YLMETHYL)DIHYDROFURAN-2(3H)-ONE
6-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
5-Fluoro-6-hydroxy-naphthalene-1-carboxylic acid methyl ester
2-(6-METHOXY-3-OXO-2,3-DIHYDRO-1H-INDEN-1-YL)ACETIC ACID
1-(3-[(3-METHYLPIPERIDIN-1-YL)METHYL]PHENYL)METHANAMINE
1-(1-methylpyrazol-4-yl)-4-oxopyridazine-3-carboxylic acid
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
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-(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
2-(1,1-DIMETHYLETHYL)-6-(TRIFLUOROMETHYL)-4(1H)-PYRIMIDINONE
1-(4-FLUOROPHENYL)-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
POTASSIUM TRIFLUORO[(4-METHYLPIPERAZIN-1-YL)METHYL]BORATE
2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE DIHYDROCHLORIDE
1-(4-FLUORO-PHENYL)-3,3-BIS-METHYLSULFANYL-PROPENONE
Ethyl 4-oxo-4H-pyrido[3,4-d][1,3]oxazine-2-carboxylate
1-(4-FLUOROPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLICACID
ETHYL 5-(2-FURYL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLATE
4-HYDRAZINYL-5,6,7,8-TETRAHYDROBENZO[4,5]THIENO[2,3-D]PYRIMIDINE
4-(Methylamino)-3-nitro-1,5-naphthyridin-2(1H)-one
6-Methoxy-3-oxo-3,4-dihydroquinoxaline-2-carboxylic acid
Hydrazine,[1,1-biphenyl]-4-yl-, hydrochloride (1:1)
3-Benzofurancarboxylicacid, 5-hydroxy-2-methyl-, ethyl ester
(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridyl]ethanamine
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
1-(4-BROMOPHENYL)-2-OXOPYRROLIDINE-3-CARBOXYLICACID
1-chloro-5,7-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde
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
1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
3-Fluoro-4-(4-methyl-1H-imidazol-1-yl)benzoic acid
2-(4-Fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid
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
(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
5-amino-N,N-dimethyl-1-benzothiophene-2-carboxamide
1,2,3,4-tetrahydroisoquinolin-4-amine,dihydrochloride
1-Methyl-1,2,3,4-tetrahydroquinoxaline dihydrochloride
5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE
2-AMINODIPYRIDO[1,2-A:3,2-D]IMIDAZOLE, HYDROCHLORIDE
1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one
7-METHOXY-2H-CHROMENE-3-CARBOXYLIC ACID METHYL ESTER
1,2-Cyclopropanedicarboxylic acid, 1-(4-methylphenyl)-
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
Phenol, 4-(2,3,5,6-tetrahydroimidazo[2,1-b]thiazol-6-yl)-
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
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.
4-Hydroxy-2-(1-methylethenyl)-2,3-dihydrobenzofuran-5-carboxylic acid
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.
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
6-Chloro-1,2,3,4-tetrahydro-3-methyl-gamma-carboline
alpha-Keto-gamma-(methylthio)butyric acid, trimethylsilyl ester
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.
PHD-1-IN-1
PHD-1-IN-1 is an orally active and potent HIF prolylhydroxylase domain-1 (PHD-1) inhibitor with an IC50 of 0.034 μM. PHD-1-IN-1 has a unique monodentate binding interaction with the active site Fe2+ ion and induces the formation of an “Arg367-out” pocket[1].
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"}
