Exact Mass: 212.06373959999996
Exact Mass Matches: 212.06373959999996
Found 500 metabolites which its exact mass value is equals to given mass value 212.06373959999996,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pinosylvin
Pinosylvin is a stilbenol. Pinosylvin is a natural product found in Alnus pendula, Calligonum leucocladum, and other organisms with data available. Pinosylvin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=22139-77-1 (retrieved 2024-07-12) (CAS RN: 22139-77-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Pinosylvin is a?pre-infectious stilbenoid toxin?isolated from the heartwood of Pinus species, has anti-bacterial activities[1]. Pinosylvin is a resveratrol analogue, can induce cell apoptosis and autophapy in leukemia cells[2]. Pinosylvin is a?pre-infectious stilbenoid toxin?isolated from the heartwood of Pinus species, has anti-bacterial activities[1]. Pinosylvin is a resveratrol analogue, can induce cell apoptosis and autophapy in leukemia cells[2].
Propyl gallate
Propyl gallate is found in corn. Propyl gallate is an antioxidant used in foods especially animal fats and vegetable oils. Synergistic with other antioxidants such as Butylated hydroxyanisole
Benzoin
(±)-Benzoin is a flavouring ingredient.Benzoin is an organic compound with the formula PhCH(OH)C(O)Ph. It is a hydroxy ketone attached to two phenyl groups. It appears as off-white crystals, with a light camphor-like odor. Benzoin is synthesized from benzaldehyde in the benzoin condensation. It is chiral and it exists as a pair of enantiomers: (R)-benzoin and (S)-benzoin. (Wikipedia C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent Flavouring ingredient Benzoin is a kind of alsamic resin isolated from the styracaceae family. Benzoin can be used as a colour additive used for marking plants[1].
Benzyl benzoate
Benzyl benzoate, also known as benylate or benylic acid, belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Benzyl benzoate is an extremely weak basic (essentially neutral) compound (based on its pKa). Benzyl benzoate is a faint, sweet, and almond tasting compound. Outside of the human body, benzyl benzoate is found, on average, in the highest concentration within Ceylon cinnamon. Benzyl benzoate has also been detected, but not quantified in, several different foods, such as fennels, garden tomato, annual wild rice, amaranths, and horseradish tree. This could make benzyl benzoate a potential biomarker for the consumption of these foods. Benzyl benzoate is one of the older preparations used to treat scabies. Scabies is a skin infection caused by the mite Sarcoptes scabiei. It is characterized by severe itching (particularly at night), red spots, and may lead to a secondary infection. Benzyl benzoate is lethal to this mite and is therefore useful in the treatment of scabies. It is also used to treat lice infestations of the head and body. Benzyl benzoate is a benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia. It has a role as a scabicide, an acaricide and a plant metabolite. It is a benzyl ester and a benzoate ester. It is functionally related to a benzoic acid. Benzyl benzoate is one of the older preparations used to treat scabies. Scabies is a skin infection caused by the mite sarcoptes scabiei. It is characterised by severe itching (particularly at night), red spots, and may lead to a secondary infection. Benzyl benzoate is lethal to this mite and so is useful in the treatment of scabies. It is also used to treat lice infestation of the head and body. Benzyl benzoate is not the treatment of choice for scabies due to its irritant properties. Benzyl benzoate is a natural product found in Lonicera japonica, Populus tremula, and other organisms with data available. See also: ... View More ... P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides A benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia. Contained in Peru balsam and Tolu balsam. Isolated from other plants e.g. Jasminum subspecies, ylang-ylang oil. It is used in food flavouring C254 - Anti-Infective Agent > C276 - Antiparasitic Agent D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals Same as: D01138 Benzyl benzoate (Benzoic acid benzyl ester) is a fragrance ingredient in cosmetic products. Benzyl benzoate can be used for the research of Scabies and Demodex-associated inflammatory skin conditions[1][2][3]. Benzyl benzoate (Phenylmethyl benzoate) is an orally active anti-scabies agent, acaricide (EC50= 0.06 g/m2) and fungicide. Benzyl benzoate is an angiotensin II (Ang II) inhibitor with antihypertensive effects. Benzyl benzoate can be used in perfumes, pharmaceuticals and the food industry[1][2][3][4][5]. Benzyl benzoate (Benzoic acid benzyl ester) is a fragrance ingredient in cosmetic products. Benzyl benzoate can be used for the research of Scabies and Demodex-associated inflammatory skin conditions[1][2][3].
Questiomycin A
Questiomycin A, also known as 2-aminophenoxazin-3-one (APO), is found in mushrooms such as Calocybe gambosa (St Georges mushroom). 2-Aminophenoxazin-3-one is a benzoxazinoid metabolite. It was found excreted in the feces of rats that were fed a rye bread-based diet which makes this compound a potential fecal biomarker of whole grain intake (PMID: 23113707).
Danielone
Phytoalexin isolated from the fruits of papaya (Carica papaya). Danielone is found in papaya and fruits. Danielone is found in fruits. Phytoalexin isolated from the fruits of papaya (Carica papaya
Chlortoluron
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 273 CONFIDENCE standard compound; INTERNAL_ID 2314 CONFIDENCE standard compound; INTERNAL_ID 8382 CONFIDENCE standard compound; INTERNAL_ID 4007
DL-Benzoin
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent Benzoin is a kind of alsamic resin isolated from the styracaceae family. Benzoin can be used as a colour additive used for marking plants[1].
Eudesmic acid
3,4,5-trimethoxybenzoic acid is a benzoic acid derivative carrying 3-, 4- and 5-methoxy substituents. It has a role as a plant metabolite, a human xenobiotic metabolite and a human urinary metabolite. It is a member of benzoic acids and a member of methoxybenzenes. It is functionally related to a benzoic acid. It is a conjugate acid of a 3,4,5-trimethoxybenzoate. 3,4,5-Trimethoxybenzoic acid is a natural product found in Verbesina myriocephala, Engelhardia roxburghiana, and other organisms with data available. Eudesmic acid is found in olive. Eudesmic acid is isolated from eucalyptus oil etc. A benzoic acid derivative carrying 3-, 4- and 5-methoxy substituents. Isolated from eucalyptus oil etc. Eudesmic acid is found in olive. 3,4,5-Trimethoxybenzoic acid (Eudesmic acid;Trimethylgallic Acid) is a benzoic acid derivative. A building block in medicine and organic synthesis. 3,4,5-Trimethoxybenzoic acid (Eudesmic acid;Trimethylgallic Acid) is a benzoic acid derivative. A building block in medicine and organic synthesis.
Vanillactic acid
Vanillactic acid, also known as vanillactate or VLA, belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. Vanillactic acid is a potentially toxic compound. Vanillactic acid has been linked to the inborn metabolic disorders including aromatic l-amino acid decarboxylase deficiency. Vanillactic acid is an acidic catecholamine metabolite present in normal human urine (PMID 7524950), in normal human CSF (PMID 7914240), and increased in the CSF of newborns with neonatal epileptic encephalopathy mimicking aromatic L-amino acid decarboxylase deficiency (PMID 12200739). Vanillactic acid is an acidic catecholamine metabolite present in normal human urine (PMID 7524950), in normal human CSF (PMID 7914240), and increased in the CSF of newborns with neonatal epileptic encephalopathy mimicking aromatic L-amino acid decarboxylase deficiency (PMID 12200739) [HMDB]
3,4-Dihydroxyphenyllactic acid methyl ester
3,4-Dihydroxyphenyllactic acid methyl ester is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Urolithin B
Urolithin B is a secondary metabolite of ellagic acid which may be glucuronidated by liver enzymes during phase II metabolism. A polyphenol metabolite detected in biological fluids [PhenolExplorer] Urolithin B is one of Ellagitannins' slow microbial products, and has anti-inflammatory and anti-inflammatory effects. Urolithin B suppresses NF-κB activity. Urolithin B suppresses JNK, ERK and Akt's oxidation, and increases AMPK's oxidation. Urolithin B is also a quantitative change factor for bone and skin quality[1][2][3][4]. Urolithin B is one of the gut microbial metabolites of ellagitannins, and has anti-inflammatory and antioxidant effects. Urolithin B inhibits NF-κB activity by reducing the phosphorylation and degradation of IκBα, and suppresses the phosphorylation of JNK, ERK, and Akt, and enhances the phosphorylation of AMPK. Urolithin B is also a regulator of skeletal muscle mass[1][2]. Urolithin B is one of Ellagitannins' slow microbial products, and has anti-inflammatory and anti-inflammatory effects. Urolithin B suppresses NF-κB activity. Urolithin B suppresses JNK, ERK and Akt's oxidation, and increases AMPK's oxidation. Urolithin B is also a quantitative change factor for bone and skin quality[1][2][3][4]. Urolithin B is one of the gut microbial metabolites of ellagitannins, and has anti-inflammatory and antioxidant effects. Urolithin B inhibits NF-κB activity by reducing the phosphorylation and degradation of IκBα, and suppresses the phosphorylation of JNK, ERK, and Akt, and enhances the phosphorylation of AMPK. Urolithin B is also a regulator of skeletal muscle mass[1][2].
2-Hydroxyxanthone
2-Hydroxyxanthone belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. 2-Hydroxyxanthone exists as a solid and is considered to be practically insoluble (in water) and relatively neutral. Within the cell, 2-hydroxyxanthone is primarily located in the membrane (predicted from logP). Outside of the human body, 2-hydroxyxanthone can be found in fruits, herbs and spices, and mammee apple. This makes 2-hydroxyxanthone a potential biomarker for the consumption of these food products. Constituent of Hypericum subspecies, Mammea americana (mamey). 2-Hydroxyxanthone is found in herbs and spices, fruits, and mammee apple.
2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone
2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone is found in alcoholic beverages. 2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone is a constituent of Riesling wine. Constituent of Riesling wine. 2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone is found in alcoholic beverages.
4-Hydroxyxanthone
4-Hydroxyxanthone is found in fruits. 4-Hydroxyxanthone is from seeds of Mammea americana (mamey). From seeds of Mammea americana (mamey). 4-Hydroxyxanthone is found in fruits.
Valtrate
Constituent of Valeriana subspecies Valtrate is found in tea, fats and oils, and herbs and spices. Valtrate is found in fats and oils. Valtrate is a constituent of Valeriana species
3-(3,4-Dihydroxyphenyl)-2-methoxypropionic acid
3-(3,4-Dihydroxyphenyl)-2-methoxypropionic acid is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
3-Hydroxy-4-methoxyphenyllactic acid
3-Hydroxy-4-methoxyphenyllactic acid is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
beta-(2-Methoxyphenoxy)-lactic acid
beta-(2-Methoxyphenoxy)-lactic acid is a metabolite of guaifenesin. Guaifenesin INN or guaiphenesin, also glyceryl guaiacolate, is an expectorant drug sold over the counter and usually taken orally to assist the bringing up of phlegm from the airways in acute respiratory tract infections. (Wikipedia)
2-([1,1'-Biphenyl]-2-yl)acetic acid
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
2',3'-Dideoxyuridine
C9H12N2O4 (212.07970319999998)
3-Biphenylacetic acid
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
4-Amino-1,8-naphthalimide
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
Felbinac
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
(1R,2R)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol
C9H12N2O4 (212.07970319999998)
Methyl syringate
Methyl syringate, a chemical marker of asphodel monofloral honey, is an efficient phenolic mediator for bacterial and fungal laccases. Methyl syringate is a TRPA1 agonist[1][2][3]. Methyl syringate, a chemical marker of asphodel monofloral honey, is an efficient phenolic mediator for bacterial and fungal laccases. Methyl syringate is a TRPA1 agonist[1][2][3].
N,N-dihydroxy-L-tyrosine
N,n-dihydroxy-l-tyrosine is slightly soluble (in water) and a weakly acidic compound (based on its pKa). N,n-dihydroxy-l-tyrosine can be found in a number of food items such as mentha (mint), bilberry, red raspberry, and oxheart cabbage, which makes n,n-dihydroxy-l-tyrosine a potential biomarker for the consumption of these food products.
Propyl gallate
Propyl gallate appears as fine white to creamy-white crystalline powder. Odorless or with a faint odor. Melting point 150 °C. Insoluble in water. Slightly bitter taste.
N-propyl gallate is a trihydroxybenzoic acid.
Propyl Gallate is under investigation in clinical trial NCT01450098 (A Study of LY2484595 in Healthy Subjects).
Propyl gallate is a natural product found in Alchornea glandulosa, Mangifera indica, and Zea mays with data available.
Propyl gallate is found in corn. Propyl gallate is an antioxidant used in foods especially animal fats and vegetable oils. Synergistic with other antioxidants such as Butylated hydroxyanisole
Propyl gallate
Propyl gallate appears as fine white to creamy-white crystalline powder. Odorless or with a faint odor. Melting point 150 °C. Insoluble in water. Slightly bitter taste.
N-propyl gallate is a trihydroxybenzoic acid.
Propyl Gallate is under investigation in clinical trial NCT01450098 (A Study of LY2484595 in Healthy Subjects).
Propyl gallate is a natural product found in Alchornea glandulosa, Mangifera indica, and Zea mays with data available.
Propyl gallate is found in corn. Propyl gallate is an antioxidant used in foods especially animal fats and vegetable oils. Synergistic with other antioxidants such as Butylated hydroxyanisole
Methyl syringate
Methyl syringate, a chemical marker of asphodel monofloral honey, is an efficient phenolic mediator for bacterial and fungal laccases. Methyl syringate is a TRPA1 agonist[1][2][3]. Methyl syringate, a chemical marker of asphodel monofloral honey, is an efficient phenolic mediator for bacterial and fungal laccases. Methyl syringate is a TRPA1 agonist[1][2][3].
Benzenepropanoic acid, alpha,3,4-trihydroxy-alpha-methyl-
4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoic acid
2,3-Dimethoxy-4-hydroxy-benzoesaeuremethylester|methyl 2,3-dimethoxy-4-hydroxybenzoate
(4S,5R,6S)-5,6-dihydroxy-5,6-dihydro-4H-cyclopenta[c]furan-4-acetic acid methyl ester|piscrocin C
2,4,5-Trimethoxybenzoic acid
2,4,5-Trimethoxybenzoic acid is a compound identified in purple perilla extracts. 2,4,5-Trimethoxybenzoic acid inhibits M1 macrophage phenotype-mediated inflammation in diabetes[1]. 2,4,5-Trimethoxybenzoic acid is a compound identified in purple perilla extracts. 2,4,5-Trimethoxybenzoic acid inhibits M1 macrophage phenotype-mediated inflammation in diabetes[1].
methyl (4aR,7S,7aS)-octahydro-3,5-dioxocyclopenta[c]pyran-7-carboxylate|torrilliolide
surugapyrrole A
C9H12N2O4 (212.07970319999998)
A pyrrolecarboxamide obtained by the formal condensation of 1-hydroxy-4-methyl-1H-pyrrole-2-carboxylic acid with the amino group of 3-aminopropanoic acid. It is isolated from the culture broth of Streptomyces sp.USF-6280 and exhibits DPPH radical scavenging activity.
1H,6H-Pyrano[3,4-c]pyran-1,6-dione, 5-ethyl-3,4,5,8-tetrahydro-5-hydroxy-, (.+/-.)-
2-hydroxy-3-(4-hydroxy-2-methyl-phenoxy)-propionic acid|2-Hydroxy-3-(4-hydroxy-2-methyl-phenoxy)-propionsaeure
6-methoxy-4-methyl-1,3-dihydroisobenzofuran-1,5,7-triol
LCIFXEQPXQVBGL-UHFFFAOYSA-N
Methyl 3-hydroxy-4,5-dimethoxybenzoate is a gallic acid derivant isolated from myricaria Laxiflora. Methyl 3-hydroxy-4,5-dimethoxybenzoate shows obvious antimicrobial activities. Methyl 3-hydroxy-4,5-dimethoxybenzoate shows fairly active for oxidation resistance in the presence of H2O2[1].
AI3-36426
Methyl syringate is a benzoate ester obtained by the formal condensation of carboxy group of syringic acid with methanol. It has a role as a plant metabolite. It is a benzoate ester, a dimethoxybenzene and a member of phenols. It is functionally related to a syringic acid. Methyl 4-hydroxy-3,5-dimethoxybenzoate is a natural product found in Buxus natalensis, Cestrum parqui, and other organisms with data available. A benzoate ester obtained by the formal condensation of carboxy group of syringic acid with methanol. Methyl syringate, a chemical marker of asphodel monofloral honey, is an efficient phenolic mediator for bacterial and fungal laccases. Methyl syringate is a TRPA1 agonist[1][2][3]. Methyl syringate, a chemical marker of asphodel monofloral honey, is an efficient phenolic mediator for bacterial and fungal laccases. Methyl syringate is a TRPA1 agonist[1][2][3].
asaronic acid
2,4,5-Trimethoxybenzoic acid is a methoxybenzoic acid. 2,4,5-Trimethoxybenzoic acid is a natural product found in Alpinia flabellata with data available. 2,4,5-Trimethoxybenzoic acid is a compound identified in purple perilla extracts. 2,4,5-Trimethoxybenzoic acid inhibits M1 macrophage phenotype-mediated inflammation in diabetes[1]. 2,4,5-Trimethoxybenzoic acid is a compound identified in purple perilla extracts. 2,4,5-Trimethoxybenzoic acid inhibits M1 macrophage phenotype-mediated inflammation in diabetes[1].
2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-propan-1-one
3-(4-methoxy-6-oxopyran-2-yl)butanoic acid
2,3-Dideoxyuridine
C9H12N2O4 (212.07970319999998)
D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides
urolithin B
Coumarins Urolithin B is one of Ellagitannins' slow microbial products, and has anti-inflammatory and anti-inflammatory effects. Urolithin B suppresses NF-κB activity. Urolithin B suppresses JNK, ERK and Akt's oxidation, and increases AMPK's oxidation. Urolithin B is also a quantitative change factor for bone and skin quality[1][2][3][4]. Urolithin B is one of the gut microbial metabolites of ellagitannins, and has anti-inflammatory and antioxidant effects. Urolithin B inhibits NF-κB activity by reducing the phosphorylation and degradation of IκBα, and suppresses the phosphorylation of JNK, ERK, and Akt, and enhances the phosphorylation of AMPK. Urolithin B is also a regulator of skeletal muscle mass[1][2]. Urolithin B is one of Ellagitannins' slow microbial products, and has anti-inflammatory and anti-inflammatory effects. Urolithin B suppresses NF-κB activity. Urolithin B suppresses JNK, ERK and Akt's oxidation, and increases AMPK's oxidation. Urolithin B is also a quantitative change factor for bone and skin quality[1][2][3][4]. Urolithin B is one of the gut microbial metabolites of ellagitannins, and has anti-inflammatory and antioxidant effects. Urolithin B inhibits NF-κB activity by reducing the phosphorylation and degradation of IκBα, and suppresses the phosphorylation of JNK, ERK, and Akt, and enhances the phosphorylation of AMPK. Urolithin B is also a regulator of skeletal muscle mass[1][2].
Propyl gallate
CONFIDENCE standard compound; INTERNAL_ID 323; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3582; ORIGINAL_PRECURSOR_SCAN_NO 3580 D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE standard compound; INTERNAL_ID 323; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3578; ORIGINAL_PRECURSOR_SCAN_NO 3575 CONFIDENCE standard compound; INTERNAL_ID 323; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3586; ORIGINAL_PRECURSOR_SCAN_NO 3583 CONFIDENCE standard compound; INTERNAL_ID 323; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3565; ORIGINAL_PRECURSOR_SCAN_NO 3561 CONFIDENCE standard compound; INTERNAL_ID 323; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3643; ORIGINAL_PRECURSOR_SCAN_NO 3639 CONFIDENCE standard compound; INTERNAL_ID 323; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3577; ORIGINAL_PRECURSOR_SCAN_NO 3574 Propyl gallate is a common food antioxidant. Propyl gallate can inhibit the production of acrolein, glyoxal and methylglyoxal[1][2]. Propyl gallate is a common food antioxidant. Propyl gallate can inhibit the production of acrolein, glyoxal and methylglyoxal[1][2].
4-Hydroxy-3,5-dimethoxybenzoic acid
C9H12N2O4 (212.07970319999998)
eudesmic acid
3,4,5-Trimethoxybenzoic acid (Eudesmic acid;Trimethylgallic Acid) is a benzoic acid derivative. A building block in medicine and organic synthesis. 3,4,5-Trimethoxybenzoic acid (Eudesmic acid;Trimethylgallic Acid) is a benzoic acid derivative. A building block in medicine and organic synthesis.
Levoamine (Chloramphenicol D base)
C9H12N2O4 (212.07970319999998)
Ethyl 3-(4-chlorophenyl)propanoate
C11H13ClO2 (212.06040280000002)
2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoic acid
4-METHYL-2,3-DIHYDRO-1H-PYRROLO[3,4-C]QUINOLINE-1,3-DIONE
METHYL 5,6-DIHYDROXY-2-ISOPROPYLPYRIMIDINE-4-CARBOXYLATE
C9H12N2O4 (212.07970319999998)
3-(morpholin-4-ylcarbonyl)thiophen-2-amine(SALTDATA: FREE)
4-((3-Hydroxypropyl)amino)-3-nitrophenol
C9H12N2O4 (212.07970319999998)
1-(p-nitrophenyl)-2-amino-1,3-propanediol
C9H12N2O4 (212.07970319999998)
Ethyl 6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxylate
Methyl Ester L-Lysine Diisocyanate
C9H12N2O4 (212.07970319999998)
[3-(mercaptomethyl)-2,4,6-trimethylphenyl]methanethiol
4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde
(2,4-DICHLORO-PHENYL)-ACETYLCHLORIDE
C9H12N2O4 (212.07970319999998)
N-[(3,5-DIMETHYLISOXAZOL-4-YL)METHYL]-N-METHYLAMINE
Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxylate
Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-3-carboxylate
5,8-DIFLUORO-7-METHOXY-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
C11H10F2O2 (212.06488240000002)
6-(benzimidazol-2-ylidene)-1,2-dihydropyridazin-3-one
2-(trifluoromethyl)-8,9-dihydro-7H-benzo[7]annulene
4-tert-Butyl-5-chloro-2-hydroxybenzaldehyde
C11H13ClO2 (212.06040280000002)
2-(p-Chlorophenyl)-3-methylbutyric Acid
C11H13ClO2 (212.06040280000002)
Ethyl 4,6-dimethoxypyrimidine-2-carboxylate
C9H12N2O4 (212.07970319999998)
Thieno[3,2-c]pyridine-3-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-5-methyl- (9CI)
Ethyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylate
Ethyl 3-(2-chlorophenyl)propanoate
C11H13ClO2 (212.06040280000002)
(1alpha,5alpha,6alpha)-2-Oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylic acid 3-ethyl 6-methyl ester
Benzoic acid,3,4,5-trihydroxy-, 1-methylethyl ester
(2S)-2-(4-Chlorophenyl)-3-methylbutanoic acid
C11H13ClO2 (212.06040280000002)
4-Hydroxy-4-(trifluoromethyl)cyclohexanecarboxylic acid
C8H11F3O3 (212.06602519999998)
(4-METHYL-2-OXO-2H-CHROMEN-7-YLOXY)-ACETICACIDHYDRAZIDE
4-Thien-2-yltetrahydro-2H-pyran-4-carboxylic acid 97
3-(2-Aminoethyl)-1,3-dihydro-2H-indol-2-one hydrochloride (1:1)
4-ACETYL-3,5-DIOXO-1-METHYLCYCLOHEXANECARBOXYLIC ACID
3,5-Pyrazoledicarboxylic acid diethyl ester
C9H12N2O4 (212.07970319999998)
2-(5-methoxy-2-nitroanilino)ethanol
C9H12N2O4 (212.07970319999998)
2-[3-(methylamino)-4-nitrophenoxy]ethanol
C9H12N2O4 (212.07970319999998)
5-(DIHYDROFURAN-2(3H)-YLIDENE)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE
D-Galactopyranuronic acid hydrate (1:1)
D-Galacturonic acid hydrate is an endogenous metabolite. D-Galacturonic acid hydrate is an endogenous metabolite.
2-Propenamide, 2-cyano-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)
Pyridine,3,5-diethoxy-2-nitro-(9CI)
C9H12N2O4 (212.07970319999998)
Diethyl 1H-imidazole-4,5-dicarboxylate
C9H12N2O4 (212.07970319999998)
ethyl 5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
(R)-2-(4-Chlorophenyl)-3-methylbutanoic acid
C11H13ClO2 (212.06040280000002)
3-(2,5-XYLYLOXY)PROPIONYL CHLORIDE
C11H13ClO2 (212.06040280000002)
DIMETHYL 1-AMINO-3-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE
C9H12N2O4 (212.07970319999998)
4-Isopropyl Phenoxy Acetyl Chloride
C11H13ClO2 (212.06040280000002)
Diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate
C9H12N2O4 (212.07970319999998)
4-(2-methylpropoxy)benzoyl chloride
C11H13ClO2 (212.06040280000002)
2-Methyl-2-(4-methylphenoxy)propanoyl chloride
C11H13ClO2 (212.06040280000002)
2H-1-Benzazepin-2-one, 3-amino-1,3,4,5-tetrahydro-, (Hydrochloride) (1:1)
ETHYL 4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXYLATE
methyl 7-fluoro-2,3-dihydro-1,4-benzodioxine-5-carboxylate
4H-Pyrazolo[3,4-d]pyrimidin-4-one,1,5-dihydro-1-phenyl-
(3-tert-butylphenyl) carbonochloridate
C11H13ClO2 (212.06040280000002)
4-CHLOROBENZENEBUTANOIC ACID METHYL ESTER
C11H13ClO2 (212.06040280000002)
Methyl 2-amino-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate
4-(4-Methoxyphenyl)butanoyl chloride
C11H13ClO2 (212.06040280000002)
5-TERT-BUTYL-3-CHLORO-2-HYDROXY-BENZALDEHYDE
C11H13ClO2 (212.06040280000002)
Benzoic acid,4-hydroxy-3,5-dimethoxy-, hydrazide
C9H12N2O4 (212.07970319999998)
3,3,3-TRIFLUORO-(2-TETRAHYDROFURANYLMETHYL)PROPIONIC ACID
C8H11F3O3 (212.06602519999998)
1,1,1-trifluoro-4,4-diethoxy-3-buten-2-one
C8H11F3O3 (212.06602519999998)
(2S,4S)-4-(thiazol-4-ylMethyl)pyrrolidine-2-carboxylic acid
2-NITRO-N-HYDROXYETHYL-p-ANISIDINE
C9H12N2O4 (212.07970319999998)
2-(2,4-DIFLUOROPHENYL)ALLYL ACETATE
C11H10F2O2 (212.06488240000002)
Methyl 7,7,7-trifluoro-6-oxoheptanoate
C8H11F3O3 (212.06602519999998)
ETHYL 3-(2,4-DIFLUOROPHENYL)ACRYLATE
C11H10F2O2 (212.06488240000002)
ETHYL 2-ETHYL-4,4,4-TRIFLUORO-3-OXOBUTYRATE
C8H11F3O3 (212.06602519999998)
1-(ethoxy-(ethylsulfanylmethyl)phosphoryl)oxyethane
3-(4,6-dimethoxypyrimidin-2-yl)propanoicacid
C9H12N2O4 (212.07970319999998)
3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid
Depsidone
The simplest member of the class of depsidones comprising of a heterotricyclic system that is 11H-dibenzo[b,e][1,4]dioxepine substituted by an oxo group at position 11.
2-((4-Methoxy-3-nitrophenyl)amino)ethanol
C9H12N2O4 (212.07970319999998)
3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
Ethyl 4-chloro-3,5-dimethylbenzoate
C11H13ClO2 (212.06040280000002)
5-(3,3-Dihydroxypropeny)-3-methoxy-benzene-1,2-diol
AI3-38428
2,4,5-Trimethoxybenzoic acid is a compound identified in purple perilla extracts. 2,4,5-Trimethoxybenzoic acid inhibits M1 macrophage phenotype-mediated inflammation in diabetes[1]. 2,4,5-Trimethoxybenzoic acid is a compound identified in purple perilla extracts. 2,4,5-Trimethoxybenzoic acid inhibits M1 macrophage phenotype-mediated inflammation in diabetes[1].
N,N-dihydroxy-L-tyrosinate
C9H10NO5- (212.05589500000002)
Conjugate base of N,N-dihydroxy-L-tyrosine.
2,4-Dihydroxy-3,5-dimethyl-6-(hydroxymethyl)benzoic acid
2-(Dihydroxyamino)-3-(4-hydroxyphenyl)propanoate
C9H10NO5- (212.05589500000002)
(1R,2R)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol
C9H12N2O4 (212.07970319999998)
2-Hydroxy-3,5,7-tris(hydroxymethyl)-1-cyclohepta-2,4,6-trienone
(1H-Benzoimidazol-2-ylmethylene)-[1,2,4]triazol-4-yl-amine
4-AMINO-1,8-NAPHTHALIMIDE
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone
Danielone
An aromatic ketone that is 2-hydroxy-1-phenylethanone substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. It is a phytoalexin isolated from the papaya fruit and exhibits antifungal activity.
1,6-Dihydroxyphenazine
A member of the class of phenazines that is phenazine substituted by hydroxy groups at positions 1 and 6.
2',3'-Dideoxyuridine
C9H12N2O4 (212.07970319999998)
2',3'-Dideoxyuridine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
4-{5-[(1r)-1-hydroxyethyl]furan-2-yl}-4-oxobutanoic acid
(2r)-2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
(7r)-7-(hydroxymethyl)-4-methoxy-5h,7h,8h-pyrano[3,2-c]pyran-2-one
1-(3,4-dihydroxybut-1-yn-1-yl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
(1s)-1-(3,4-dihydroxyphenyl)-2-hydroxyethyl acetate
(5r)-5-[(1s)-1-hydroxyethyl]-3h,4h,5h,8h-pyrano[3,4-c]pyran-1,6-dione
antiarolaldehyde
{"Ingredient_id": "HBIN016306","Ingredient_name": "antiarolaldehyde","Alias": "NA","Ingredient_formula": "C10H12O5","Ingredient_Smile": "COC1=C(C(=C(C(=C1)O)C=O)OC)OC","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1379","TCMSP_id": "NA","TCM_ID_id": "6742;21612","PubChem_id": "NA","DrugBank_id": "NA"}
5-ethyl-5-hydroxy-3h,4h,8h-pyrano[3,4-c]pyran-1,6-dione
11-methoxy-2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1(13),2,4,6,8,10-hexaen-12-one
methyl 3,5-dioxo-hexahydrocyclopenta[c]pyran-7-carboxylate
[6-(hydroxymethyl)-2-methyl-4-oxopyran-3-yl]methyl acetate
2-[(1r,2s)-1,2-dihydroxypropyl]-6-hydroxybenzoic acid
(5r)-5-ethyl-5-hydroxy-3h,4h,8h-pyrano[3,4-c]pyran-1,6-dione
methyl (2s)-2-amino-3-(3-hydroxy-4-oxopyridin-1-yl)propanoate
C9H12N2O4 (212.07970319999998)