Exact Mass: 198.0537
Exact Mass Matches: 198.0537
Found 261 metabolites which its exact mass value is equals to given mass value 198.0537,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Danshensu
(2R)-3-(3,4-dihydroxyphenyl)lactic acid is a (2R)-2-hydroxy monocarboxylic acid that is (R)-lactic acid substituted at position 3 by a 3,4-dihydroxyphenyl group. It is a (2R)-2-hydroxy monocarboxylic acid and a 3-(3,4-dihydroxyphenyl)lactic acid. It is a conjugate acid of a (2R)-3-(3,4-dihydroxyphenyl)lactate. Danshensu is a natural product found in Salvia miltiorrhiza, Melissa officinalis, and other organisms with data available. Salvianic acid A. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=76822-21-4 (retrieved 2024-06-29) (CAS RN: 76822-21-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Danshensu, an active ingredient of?Salvia miltiorrhiza, shows wide cardiovascular benefit by activating Nrf2 signaling pathway. Danshensu, an active ingredient of?Salvia miltiorrhiza, shows wide cardiovascular benefit by activating Nrf2 signaling pathway.
3-(3,4-Dihydroxyphenyl)lactic acid
3-(3,4-dihydroxyphenyl)lactic acid is a 2-hydroxy monocarboxylic acid and a member of catechols. It is functionally related to a rac-lactic acid. It is a conjugate acid of a 3-(3,4-dihydroxyphenyl)lactate. 3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid is a natural product found in Salvia miltiorrhiza, Salvia sonchifolia, and other organisms with data available. 3-(3,4-Dihydroxyphenyl)lactic acid is a natural catecholamine metabolite present in normal newborns plasma (PMID 1391254) and in normal urine (PMID 7460271) [HMDB]. 3-(3,4-Dihydroxyphenyl)lactic acid is found in rosemary. 3-(3,4-Dihydroxyphenyl)lactic acid is a natural catecholamine metabolite present in normal newborns plasma (PMID 1391254) and in normal urine (PMID 7460271).
Monuron
CONFIDENCE standard compound; INTERNAL_ID 446; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7858; ORIGINAL_PRECURSOR_SCAN_NO 7856 CONFIDENCE standard compound; INTERNAL_ID 446; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7928; ORIGINAL_PRECURSOR_SCAN_NO 7925 CONFIDENCE standard compound; INTERNAL_ID 446; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7944; ORIGINAL_PRECURSOR_SCAN_NO 7942 CONFIDENCE standard compound; INTERNAL_ID 446; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3857; ORIGINAL_PRECURSOR_SCAN_NO 3854 CONFIDENCE standard compound; INTERNAL_ID 446; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7900; ORIGINAL_PRECURSOR_SCAN_NO 7898 CONFIDENCE standard compound; INTERNAL_ID 446; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3846; ORIGINAL_PRECURSOR_SCAN_NO 3844 CONFIDENCE standard compound; INTERNAL_ID 446; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7885; ORIGINAL_PRECURSOR_SCAN_NO 7882 CONFIDENCE standard compound; INTERNAL_ID 446; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3870; ORIGINAL_PRECURSOR_SCAN_NO 3866 CONFIDENCE standard compound; INTERNAL_ID 446; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7933; ORIGINAL_PRECURSOR_SCAN_NO 7931 CONFIDENCE standard compound; INTERNAL_ID 446; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3859; ORIGINAL_PRECURSOR_SCAN_NO 3857 CONFIDENCE standard compound; INTERNAL_ID 446; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3877; ORIGINAL_PRECURSOR_SCAN_NO 3875 CONFIDENCE standard compound; INTERNAL_ID 446; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3866; ORIGINAL_PRECURSOR_SCAN_NO 3861
Syringic acid
Syringic acid, also known as syringate or cedar acid, belongs to the class of organic compounds known as gallic acid and derivatives. Gallic acid and derivatives are compounds containing a 3,4,5-trihydroxybenzoic acid moiety. Outside of the human body, Syringic acid is found, on average, in the highest concentration within a few different foods, such as common walnuts, swiss chards, and olives and in a lower concentration in apples, tarragons, and peanuts. Syringic acid has also been detected, but not quantified in several different foods, such as sweet marjorams, silver lindens, bulgurs, annual wild rices, and barley. This could make syringic acid a potential biomarker for the consumption of these foods. Syringic acid is correlated with high antioxidant activity and inhibition of LDL oxidation. Research suggests that phenolics from wine may play a positive role against oxidation of low-density lipoprotein (LDL), which is a key step in the development of atherosclerosis. Syringic acid is a phenol present in some distilled alcohol beverages. It is also a product of microbial (gut) metabolism of anthocyanins and other polyphenols that have been consumed (in fruits and alcoholic beverages - PMID:18767860). Syringic acid is also a microbial metabolite that can be found in Bifidobacterium (PMID:24958563). Syringic acid is a dimethoxybenzene that is 3,5-dimethyl ether derivative of gallic acid. It has a role as a plant metabolite. It is a member of benzoic acids, a dimethoxybenzene and a member of phenols. It is functionally related to a gallic acid. It is a conjugate acid of a syringate. Syringic acid is a natural product found in Visnea mocanera, Pittosporum illicioides, and other organisms with data available. Syringic acid is a metabolite found in or produced by Saccharomyces cerevisiae. Present in various plants free and combined, e.g. principal phenolic constituent of soyabean meal (Glycine max) A dimethoxybenzene that is 3,5-dimethyl ether derivative of gallic acid. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents KEIO_ID S018 Syringic acid is correlated with high antioxidant activity and inhibition of LDL oxidation. Syringic acid is correlated with high antioxidant activity and inhibition of LDL oxidation.
Vanillylmandelic acid (VMA)
Vanillylmandelic acid, also known as vanillylmandelate or VMA, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Vanillylmandelic acid is a sweet and vanilla tasting compound. Vanillylmandelic acid (VMA) is a chemical intermediate in the synthesis of artificial vanilla flavorings and is an end-stage metabolite of the catecholamines (dopamine, epinephrine, and norepinephrine). Vanillylmandelic acid exists in all living organisms, ranging from bacteria to plants to humans. Within humans, vanillylmandelic acid participates in a number of enzymatic reactions. In particular, vanillylmandelic acid can be biosynthesized from 3-methoxy-4-hydroxyphenylglycolaldehyde through its interaction with the enzyme aldehyde dehydrogenase. In addition, vanillylmandelic acid and pyrocatechol can be biosynthesized from 3,4-dihydroxymandelic acid and guaiacol through the action of the enzyme catechol O-methyltransferase. Urinary VMA is elevated in patients with tumors that secrete catecholamines. Urinary VMA tests may also be used to diagnose neuroblastomas, and to monitor treatment of these conditions. VMA urinalysis tests can be used to diagnose an adrenal gland tumor called pheochromocytoma, a tumor of catecholamine-secreting chromaffin cells. Vanillylmandelic acid (VMA) is produced in the liver and is a major product of norepinephrine and epinephrine metabolism excreted in the urine. Vanillylmandelic acid is one of the products of the catabolism of catecholamines (epinephrine, norepinephrine and dopamine). High levels of vanillylmandelic acid can indicate an adrenal gland tumor (pheochromocytoma) or another type of tumor that produces catecholamines. (WebMD) [HMDB] D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID H056 Vanillylmandelic acid is the endproduct of epinephrine and norepinephrine metabolism. Vanillylmandelic acid can be used as an indication of the disorder in neurotransmitter metabolism as well. Vanillylmandelic acid has antioxidant activity towards DPPH radical with an IC50 value of 33 μM[1].
(3E)-3-[(1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]pyruvic acid
A 2-oxo monocarboxylic acid that is pyruvic acid in which two of the methyl hydrogens are replaced by a 5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene group (the 1R,5R,6S stereoisomer).
Ethyl gallate
Ethyl gallate is a gallate ester obtained by the formal condensation of gallic acid with ethanol. It has a role as a plant metabolite. Ethyl gallate is a natural product found in Limonium axillare, Dimocarpus longan, and other organisms with data available. Ethyl gallate occurs, inter alia, in Indian gooseberry (Phyllanthus emblica). Ethyl gallate is found in many foods, some of which include grape wine, fruits, guava, and vinegar. Occurs, inter alia, in Indian gooseberry (Phyllanthus emblica). Ethyl gallate is found in many foods, some of which are grape wine, fruits, guava, and vinegar. A gallate ester obtained by the formal condensation of gallic acid with ethanol. Ethyl gallate is a nonflavonoid phenolic compound and also a scavenger of hydrogen peroxide. Ethyl gallate is a nonflavonoid phenolic compound and also a scavenger of hydrogen peroxide.
3,4-O-Dimethylgallic acid
3,4-O-Dimethylgallic acid is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
3-Hydroxy-4-methoxymandelate
3-hydroxy-4-methoxymandelate is an urinary organic acid used to screen for inherited metabolic diseases.
4-Methyldibenzothiophene
4-Methyldibenzothiophene is a constituent of the rhizomes of rhubarb (Rheum palmatum) and starfruit aroma. Constituent of the rhizomes of rhubarb (Rheum palmatum) and starfruit aroma
(2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanoyl Fluoride
2,4(1H,3H)-Pyrimidinedione, 1-(2,3-dihydro-2-furanyl)-5-fluoro-
Methoxyhydroxymandelic Acid
D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids
(2R,4R,5R)-1-Fluoro-1,2,4,5,6-pentahydroxyhexan-3-one
Vanillylmandelic acid
D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids An aromatic ether that is the 3-O-methyl ether of 3,4-dihydroxymandelic acid. Vanillylmandelic acid is the endproduct of epinephrine and norepinephrine metabolism. Vanillylmandelic acid can be used as an indication of the disorder in neurotransmitter metabolism as well. Vanillylmandelic acid has antioxidant activity towards DPPH radical with an IC50 value of 33 μM[1].
(E)-2-(1-propynyl)-5-(3,5-hexadien-1-ynyl)-thiophene|2-(3,5-Hexadien-1-ynyl)-5-(1-propynyl)thiophene|2-Propin-(1)-yl-5-hexadien-(3,5)-in-(1)-yl-thiophen|5-(Prop-1-in-yl)-2-(hexa-3,5-dien-1-in-yl)-thiophen|5--2--thiophen
2-(Buten-(3)-in-(1)-yl)-5-(penten-(3)-in-(1)-yl)-trans-thiophen|2--5--trans-thiophen|trans-5--2--thiophen
2-(5,6-Dihydroxy-5,6-dihydro-cyclopenta[c]furan-4-yl)acetic acid
2-Phenyl-5-(1-propynyl)-thiophene|2-Phenyl-5-(1-propynyl)thiophene|2-Phenyl-5-prop-1-inyl-thiophen|2-phenyl-5-prop-1-ynyl-thiophene|2-Phenyl-5-propin-(1)-yl-thiophen|5-Phenyl-2--thiophen|5-phenyl-2-propynylthiophene
M3OMG
Methyl 3,4-dihydroxy-5-methoxybenzoate is a natural product found in Crinodendron hookerianum and Acer rubrum with data available. Methyl 3-O-methylgallate (M3OMG) possesses antioxidant effect and can protect neuronal cells from oxidative damage[1].
Vanillyl mandelic acid
Vanillylmandelic acid is the endproduct of epinephrine and norepinephrine metabolism. Vanillylmandelic acid can be used as an indication of the disorder in neurotransmitter metabolism as well. Vanillylmandelic acid has antioxidant activity towards DPPH radical with an IC50 value of 33 μM[1].
Vanillomandelc acid
Vanillylmandelic acid is the endproduct of epinephrine and norepinephrine metabolism. Vanillylmandelic acid can be used as an indication of the disorder in neurotransmitter metabolism as well. Vanillylmandelic acid has antioxidant activity towards DPPH radical with an IC50 value of 33 μM[1].
Syringic acid
Syringic acid is correlated with high antioxidant activity and inhibition of LDL oxidation. Syringic acid is correlated with high antioxidant activity and inhibition of LDL oxidation.
Progallin A
Ethyl gallate is a nonflavonoid phenolic compound and also a scavenger of hydrogen peroxide. Ethyl gallate is a nonflavonoid phenolic compound and also a scavenger of hydrogen peroxide.
2-(hexa-3E,5-dien-1-yn-1-yl)-5-(prop-1-yn-1-yl)thiophene
METHYL 4-METHYL-2-(METHYLSULFANYL)-5-PYRIMIDINECARBOXYLATE
1-(5-METHYL-4H-1,2,4-TRIAZOL-3-YL)ETHANAMINE DIHYDROCHLORIDE
GAMMA-METHYL-A-(TRIFLUOROMETHYL)-GAMMA-VALEROLACTONE
METHYL 6-METHYL-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLATE
2-Amino-2-(2-methoxyphenyl)acetonitrile hydrochloride
[2-fluoro-5-(hydrazinecarbonyl)phenyl]boronic acid
Methyl 2-amino-4-cyclopropylthiazole-5-carboxylate
7-(Chloromethyl)-3,4-dihydro-2H-benzo[b][1,4]dioxepine
(3-Fluoro-4-(hydrazinecarbonyl)phenyl)boronic acid
1-(2,2,2-TRIFLUOROETHYL)-3-(TRIFLUOROMETHYL)BENZENE
N-[(4-Fluorophenyl)methyl]carbamimidothioic acid methyl ester
DIHYDRO-1-METHYL-3-(2-PROPEN-1-YL)-2-THIOXO-4,6(1H,5H)-PYRIMIDINEDIONE
(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxylic acid
Thieno[3,2-c]pyridine-2-carboxylic acid, 3-amino-4,5,6,7-tetrahydro- (9CI)
3-AMINOMETHYL-1,3-DIHYDRO-INDOL-2-ONE HYDROCHLORIDE
1H-Benzimidazole-5-carbonyl chloride, 4,5,6,7-tetrahydro-1-methyl- (9CI)
1H-Benzimidazole-5-carbonyl chloride, 4,5,6,7-tetrahydro-2-methyl- (9CI)
(2-Methyl-1,3-benzoxazol-5-yl)-methylamine hydrochloride
2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester
trans-2-(3,4-difluorophenyl) cyclopropanecarboxylic acid
2-(chloromethyl)-5,6,7,8-tetrahydro-1H-quinazolin-4-one
(3-Fluoro-5-(hydrazinecarbonyl)phenyl)boronic acid
2-(2,5-Difluorophenyl)-cyclopropanecarboxylic acid
3-(alpha-aminoethyl)-5-methyl-4H-1,2,4-triazole dihydrochloride
5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXYLIC ACID
Benzenepropanoic acid, alpha,3,4-trihydroxy-, (aS)-
2-Hydroxy-2-(2-hydroxy-4-methoxyphenyl)acetic acid
Cedar acid
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents Syringic acid is correlated with high antioxidant activity and inhibition of LDL oxidation. Syringic acid is correlated with high antioxidant activity and inhibition of LDL oxidation.
(3Z)-3-[(1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]-2-oxopropanoic acid
4,6-Dihydroxy-2-(hydroxymethyl)-3-methylbenzoic acid
{5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl}methyl acetate
[(1r,5s,6r)-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate
(2r,3r,4s,5s)-4-fluoro-2,3,5,6-tetrahydroxyhexanoic acid
2-[(3e)-hexa-3,5-dien-1-yn-1-yl]-5-(prop-1-yn-1-yl)thiophene
1,5-dimethoxy-3-hydroxybenzoicacid
{"Ingredient_id": "HBIN001664","Ingredient_name": "1,5-dimethoxy-3-hydroxybenzoicacid","Alias": "NA","Ingredient_formula": "C9H10O5","Ingredient_Smile": "COC1=CC(=CC(=C1O)OC)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6232","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3,4-Trihydroxy-benzenepropanoic acid
{"Ingredient_id": "HBIN003893","Ingredient_name": "2,3,4-Trihydroxy-benzenepropanoic acid","Alias": "2,3,4-trihydroxy-benzenepropanoic acid; 3-(2,3,4-trihydroxyphenyl)propanoic acid; 3-(2,3,4-trihydroxyphenyl)propionic acid; 2,3,4-trihydroxy-benzenepropanoicacid","Ingredient_formula": "C9H10O5","Ingredient_Smile": "C1=CC(=C(C(=C1CCC(=O)O)O)O)O","Ingredient_weight": "198.19","OB_score": "35.67467292","CAS_id": "NA","SymMap_id": "SMIT01104","TCMID_id": "32113;21673","TCMSP_id": "MOL008995","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-ethoxy-4,5-dihy-droxy-benzoic acid
{"Ingredient_id": "HBIN008511","Ingredient_name": "3-ethoxy-4,5-dihy-droxy-benzoic acid","Alias": "3-ethoxy-4,5-dihydroxy-benzoicacid","Ingredient_formula": "C9H10O5","Ingredient_Smile": "CCOC1=CC(=CC(=C1O)O)C(=O)O","Ingredient_weight": "198.17 g/mol","OB_score": "42.47173475","CAS_id": "NA","SymMap_id": "SMIT08346","TCMID_id": "7401","TCMSP_id": "MOL006781","TCM_ID_id": "NA","PubChem_id": "86047602","DrugBank_id": "NA"}
5-Hydroxybenzoic acid
{"Ingredient_id": "HBIN011675","Ingredient_name": "5-Hydroxybenzoic acid","Alias": "NA","Ingredient_formula": "C9H10O5","Ingredient_Smile": "COC1=CC(=CC(=C1OC)O)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34055","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alpha-hydroxygydrocaffeic acid
{"Ingredient_id": "HBIN015554","Ingredient_name": "alpha-hydroxygydrocaffeic acid","Alias": "NA","Ingredient_formula": "C9H10O5","Ingredient_Smile": "C1=CC(=C(C=C1CC(C(=O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31202","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
α-hydroxyhydrocaffeicacid
{"Ingredient_id": "HBIN015555","Ingredient_name": "\u03b1-hydroxyhydrocaffeicacid","Alias": "NA","Ingredient_formula": "C9H10O5","Ingredient_Smile": "C1=CC(=C(C=C1CC(C(=O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10171","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
