Exact Mass: 188.0368
Exact Mass Matches: 188.0368
Found 500 metabolites which its exact mass value is equals to given mass value 188.0368,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
1-Hydroxy-2-naphthoic acid
1-Hydroxy-2-naphthoic acid is an endogenous metabolite.
Plumbagin
Plumbagin, also known as 5-hydroxy-2-methyl-1,4-naphthoquinone or 2-methyljuglone, is a member of the class of compounds known as naphthoquinones. Naphthoquinones are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone). Plumbagin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Plumbagin can be found in black walnut, common walnut, japanese persimmon, and persimmon, which makes plumbagin a potential biomarker for the consumption of these food products. Plumbagin is named after the plant genus Plumbago, from which it was originally isolated. It is also commonly found in the carnivorous plant genera Drosera and Nepenthes. It is also a component of the black walnut drupe . D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents D006401 - Hematologic Agents > D000925 - Anticoagulants D000970 - Antineoplastic Agents D002317 - Cardiovascular Agents D007155 - Immunologic Factors Plumbagin (2-Methyljuglone) is a naphthoquinone isolated from Plumbago zeylanica, exhibits anticancer and antiproliferative activities[1]. Plumbagin (2-Methyljuglone) is a naphthoquinone isolated from Plumbago zeylanica, exhibits anticancer and antiproliferative activities[1].
(Z)-But-1-ene-1,2,4-tricarboxylate
This compound belongs to the family of Tricarboxylic Acids and Derivatives. These are organic compounds containing three carboxylic acid groups (or salt/ester derivatives thereof).
cis-2-Methylaconitate
cis-2-Methylaconitate is produced due to the dehydration of 2-methylcitrate in 2-methylcitric acid cycle. The cycle is catalyzed by a cofactor-less (PrpD) enzyme or by an aconitase-like (AcnD) enzyme. (PMID: 17567742) [HMDB]. cis-2-Methylaconitate is found in many foods, some of which are new zealand spinach, cauliflower, rocket salad, and pepper (c. chinense). cis-2-Methylaconitate is produced due to the dehydration of 2-methylcitrate in 2-methylcitric acid cycle. The cycle is catalyzed by a cofactor-less (PrpD) enzyme or by an aconitase-like (AcnD) enzyme. (PMID: 17567742). cis-2-Methylaconitate has been found to be a microbial metabolite (ECMDB).
3-Hydroxy-2-naphthoate
CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4370; ORIGINAL_PRECURSOR_SCAN_NO 4369 CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4410; ORIGINAL_PRECURSOR_SCAN_NO 4409 CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4389; ORIGINAL_PRECURSOR_SCAN_NO 4388 CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4390; ORIGINAL_PRECURSOR_SCAN_NO 4389 CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8941; ORIGINAL_PRECURSOR_SCAN_NO 8939 CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9011; ORIGINAL_PRECURSOR_SCAN_NO 9007 CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4419; ORIGINAL_PRECURSOR_SCAN_NO 4418 CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8996; ORIGINAL_PRECURSOR_SCAN_NO 8992 CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8968; ORIGINAL_PRECURSOR_SCAN_NO 8964 CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4369; ORIGINAL_PRECURSOR_SCAN_NO 4368
Isoplumbagin
Isoplumbagin is found in nuts. Isoplumbagin is a constituent of Juglans regia (walnut) and Juglans nigra (black walnut). Constituent of Juglans regia (walnut) and Juglans nigra (black walnut). Isoplumbagin is found in nuts.
(-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one
(-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one is found in brassicas. (-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one is an alkaloid from brassicas inoculated with Pseudomonas cichorii. Alkaloid from brassicas inoculated with Pseudomonas cichorii. (-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one is found in brassicas.
Furfuryl propyl disulfide
Furfuryl propyl disulfide is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2-Methyl-3-(propyldithio)furan
Meat flavouring ingredient. Meat flavouring ingredient
2-(Sec-butyldisulfanyl)-1h-imidazole
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor
4',5'-Dihydropsoralen
4,5-dihydropsoralen is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. 4,5-dihydropsoralen is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4,5-dihydropsoralen can be found in fig, which makes 4,5-dihydropsoralen a potential biomarker for the consumption of this food product.
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate
2-amino-3,7-dideoxy-d-threo-hept-6-ulosonate is soluble (in water) and a moderately acidic compound (based on its pKa). 2-amino-3,7-dideoxy-d-threo-hept-6-ulosonate can be found in a number of food items such as celeriac, muskmelon, pulses, and grapefruit, which makes 2-amino-3,7-dideoxy-d-threo-hept-6-ulosonate a potential biomarker for the consumption of these food products.
Plumbagin
Plumbagin is a hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. It has a role as a metabolite, an immunological adjuvant, an anticoagulant and an antineoplastic agent. It is a member of phenols and a hydroxy-1,4-naphthoquinone. Plumbagin is a compound investigated for its anticancer activity. It has been found that it inactivates the Akt/NF-kB, MMP-9 and VEGF pathways. Plumbagin is a natural product found in Drosera slackii, Diospyros hebecarpa, and other organisms with data available. Synthetic Plumbagin PCUR-101 is a synthetic form of the plant-derived medicinal agent, plumbagin, with potential antineoplastic activity. Plumbagin may act by inhibiting the expression of protein kinase C epsilon (PKCe), signal transducers and activators of transcription 3 phosphorylation (Stat3), protein kinase B (AKT), and certain epithelial-to-mesenchymal transition (EMT) markers, including vimentin and slug. This results in possible inhibition of proliferation in susceptible tumor cells. PKCe, Stat3, AKT, and the EMT markers vimentin and slug have been linked to the induction and progression of prostate cancer. A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents D006401 - Hematologic Agents > D000925 - Anticoagulants D000970 - Antineoplastic Agents D002317 - Cardiovascular Agents D007155 - Immunologic Factors relative retention time with respect to 9-anthracene Carboxylic Acid is 0.955 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.957 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.960 Plumbagin (2-Methyljuglone) is a naphthoquinone isolated from Plumbago zeylanica, exhibits anticancer and antiproliferative activities[1]. Plumbagin (2-Methyljuglone) is a naphthoquinone isolated from Plumbago zeylanica, exhibits anticancer and antiproliferative activities[1].
Lawsone methyl ether
A naphthoquinone that is naphthalene-1,4-dione substituted by a methoxy group at position 2. It has been isolated from the roots of Rubia yunnanensis. Lawsone methyl ether (2-Methoxy-1,4-naphthoquinone), isolated from Impatiens balsamina L. and Swertia calycina, exhibits potent antifungal and antibacterial activities[1]. Lawsone methyl ether (2-Methoxy-1,4-naphthoquinone), isolated from Impatiens balsamina L. and Swertia calycina, exhibits potent antifungal and antibacterial activities[1].
2,4-Diaminobenzenesulfonic acid
CONFIDENCE standard compound; INTERNAL_ID 2788 CONFIDENCE standard compound; INTERNAL_ID 8657 CONFIDENCE standard compound; INTERNAL_ID 8097
Me ester-(E)-10-Hydroxy-8-decene-2,4,6-triynoic acid
10-Hydroxy-dec-2t-en-4,6,8-triin-1-saeure-methylester|10-Hydroxy-dec-2t-en-4,6,8-triinsaeure-methylester|10-hydroxy-dec-2t-ene-4,6,8-triynoic acid methyl ester|10-Hydroxy-decen-(2t)-triyn-(4,6,8)-saeure-(1)-methylester|10-Hydroxydec-trans-2-en-4,6,8-triinsaeuremethylester|Me-ester-(E)-10-Hydroxy-2-decene-4,6,8-triynoic acid
4,5-Dihydropsoralen
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
(-)-(R)-2-(4-hydroxy-2-oxoindolin-3-yl)acetonitrile
Gallicum acidum
See also: Gallic Acid (has active moiety) ... View More ... Gallic acid (3,4,5-Trihydroxybenzoic acid) hydrate is a natural polyhydroxyphenolic compound and an free radical scavenger to inhibit cyclooxygenase-2 (COX-2)[1]. Gallic acid hydrate has various activities, such as antimicrobial, antioxidant, antimicrobial, anti-inflammatory, and anticance activities[2]. Gallic acid (3,4,5-Trihydroxybenzoic acid) hydrate is a natural polyhydroxyphenolic compound and an free radical scavenger to inhibit cyclooxygenase-2 (COX-2)[1]. Gallic acid hydrate has various activities, such as antimicrobial, antioxidant, antimicrobial, anti-inflammatory, and anticance activities[2].
Triglochinic acid
Triglochinic acid is a monomeric compound isolated from tubers of Pinellia pedatisecta Schott[1].
2-carboxy-1-naphthol
A naphthoic acid with the carboxy group at position 2 and carrying a hydroxy substituent at the 1-position. It is a xenobiotic metabolite produced by the biodegradation of phenanthrene by microorganisms. 1-Hydroxy-2-naphthoic acid is an endogenous metabolite.
(-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one
3-(chloromethyl)-5-(tetrahydrofuran-2-yl)-1,2,4-oxadiazole(SALTDATA: FREE)
Pyrrolo[1,2-a]thieno[3,2-e]pyrazine, 5-methyl- (9CI)
3-(2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)PROPANENITRILE
methyl 5-(chloromethyl)-2-methylfuran-3-carboxylate
7-METHYL-1,5-DIOXO-1,2,3,5-TETRAHYDROINDOLIZINE-6-CARBONITRILE
2-(4-CHLORO-3-METHYL-1H-PYRAZOL-1-YL)PROPANOIC ACID
methyl 4-(chloromethyl)-5-methylfuran-2-carboxylate
3-hydroxy-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile
5-chloro-2-oxobicyclo[2.2.1]heptane-7-carboxylic acid
5-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
2-HYDROXY-4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBONITRILE
3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,4-dihydropyrazin-2-one
Thiazolo[3,2-a]benzimidazole, 3-methyl- (7CI,8CI,9CI)
6-(METHYLAMINO)PYRIDIN-3-YLBORONIC ACID HYDROCHLORIDE
Pyrrolo[1,2-a]thieno[2,3-e]pyrazine, 5-methyl- (9CI)
3-Quinolinecarbonitrile, 7-fluoro-1,4-dihydro-4-oxo-
3-(Trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
4-Thiazolecarboxylicacid,2-(acetylamino)-4,5-dihydro-(9CI)
5-Thiazolecarboxylicacid, 2-amino-4,5-dihydro-4-oxo-, ethyl ester
1H-Benzimidazole-4,7-dione,2-ethenyl-1-methyl-(9CI)
BENZENECARBOXIMIDAMIDE,2-CHLORO-4-FLUORO-N-HYDROXY-
5-Thiazolecarboxylicacid, 2-amino-4-hydroxy-, ethyl ester
N-(2-aminoethyl)-N-methylmethanesulfonamide(SALTDATA: HCl)
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-ethenyl-
3-(5-OXO-2-THIOXO-IMIDAZOLIDIN-4-YL)-PROPIONIC ACID
Ethanol,2-[(2-amino-6-chloro-4-pyrimidinyl)amino]-
1-Phenyl-1H-pyrazole-4-carboxylic acid
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
6-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyridazin-3-one
(5-ETHYL-[1,3,4]OXADIAZOL-2-YLSULFANYL)-ACETIC ACID
2-amino-4-(trifluoromethyl)pyrimidine-5-carbonitrile
1,2-Diamino-4,5-methylenedioxybenzene,dihydrochloride
4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid
2-Propenamide, 2-cyano-3-(4-hydroxyphenyl)-, (2E)-
AI3-17893
Lawsone methyl ether (2-Methoxy-1,4-naphthoquinone), isolated from Impatiens balsamina L. and Swertia calycina, exhibits potent antifungal and antibacterial activities[1]. Lawsone methyl ether (2-Methoxy-1,4-naphthoquinone), isolated from Impatiens balsamina L. and Swertia calycina, exhibits potent antifungal and antibacterial activities[1].
N-acetyl-L-glutamate(1-)
An N-acyl-L-alpha-amino acid anion resulting from deprotonation of both carboxy groups and protonation of the amide nitrogen of N-acetyl-L-glutamic acid.
cis-2-Methylaconitate
A tricarboxylic acid comprising (Z)-but-2-ene having the three carboxy groups at the 1-, 2- and 3-positions.
gamma-carboxy-L-glutamate(3-)
An L-alpha amino acid anion obtained by the deprotonation of the three carboxy groups of gamma-carboxy-L-glutamic acid.
5-hydroxy-3-methyl-4-(propylsulfanyl)-5h-furan-2-one
2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-10,11-dione
2-(4-methylfuran-2-yl)cyclohexa-2,5-diene-1,4-dione
2,3-Dihydro-4-hydroxy-2-indole-3-acetonitrile
{"Ingredient_id": "HBIN003993","Ingredient_name": "2,3-Dihydro-4-hydroxy-2-indole-3-acetonitrile","Alias": "2,3-Dihydro-4-hydroxy-2-oxo-1H-indole-3-acetonitrile; 2-(4-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile; 4CN-2512; AC1NSUKH; 2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile; 2,3-dihydro-4-hydroxy-2-oxoindole-3-acetonitrile; 1380540-77-1; AKOS032948858; 2,3-dihydro-4-hydroxy-2-indole-3-acetonitrile","Ingredient_formula": "C10H8N2O2","Ingredient_Smile": "C1=CC2=C(C(C(=O)N2)CC#N)C(=C1)O","Ingredient_weight": "188.18 g/mol","OB_score": "84.69543443","CAS_id": "NA","SymMap_id": "SMIT00910","TCMID_id": "5636","TCMSP_id": "MOL005588","TCM_ID_id": "NA","PubChem_id": "5316720","DrugBank_id": "NA"}
2,3-dihydro-4-hydroxy-2-oxo-1h-indole-3-acetic acid; nitrile
{"Ingredient_id": "HBIN003994","Ingredient_name": "2,3-dihydro-4-hydroxy-2-oxo-1h-indole-3-acetic acid; nitrile","Alias": "NA","Ingredient_formula": "C10H8N2O2","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8950","PubChem_id": "NA","DrugBank_id": "NA"}
2,3-dihydro-4-hydroxy-2-oxo-indole-3-acetonitrile
{"Ingredient_id": "HBIN003995","Ingredient_name": "2,3-dihydro-4-hydroxy-2-oxo-indole-3-acetonitrile","Alias": "2,3-Dihydro-4-hydroxy-2-oxo-1H-indole-3-acetonitrile; 2-(4-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile; 4CN-2512; AC1NSUKH; 2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile; 2,3-dihydro-4-hydroxy-2-oxoindole-3-acetonitrile; 1380540-77-1; AKOS032948858","Ingredient_formula": "C10H8N2O2","Ingredient_Smile": "C1=CC2=C(C(C(=O)N2)CC#N)C(=C1)O","Ingredient_weight": "188.18 g/mol","OB_score": "84.69543443","CAS_id": "NA","SymMap_id": "SMIT01134","TCMID_id": "NA","TCMSP_id": "MOL001791","TCM_ID_id": "NA","PubChem_id": "5316720","DrugBank_id": "NA"}
