Exact Mass: 208.0709
Exact Mass Matches: 208.0709
Found 500 metabolites which its exact mass value is equals to given mass value 208.0709,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sinapaldehyde
(E)-sinapaldehyde is a member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. It has a role as an antifungal agent and a plant metabolite. It is a member of cinnamaldehydes, a dimethoxybenzene and a member of phenols. It is functionally related to an (E)-cinnamaldehyde. Sinapaldehyde is a natural product found in Stereospermum colais, Aralia bipinnata, and other organisms with data available. A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors Sinapaldehyde, also known as (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal or (E)-sinapoyl aldehyde, is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Sinapaldehyde is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Sinapaldehyde can be synthesized from cinnamaldehyde. Sinapaldehyde can also be synthesized into 4-acetoxy-3,5-dimethoxy-trans-cinnamaldehyde. Sinapaldehyde can be found in a number of food items such as angelica, saskatoon berry, rubus (blackberry, raspberry), and lemon verbena, which makes sinapaldehyde a potential biomarker for the consumption of these food products. In Arabidopsis thaliana, this compound is part of the lignin biosynthesis pathway. The enzyme dihydroflavonol 4-reductase uses sinapaldehyde and NADPH to produce sinapyl alcohol and NADP+ . Annotation level-2 Sinapaldehyde exhibits moderate antibacterial against Methicillin resistant S. aureus (MRSA) and E. coli with MIC values of 128 and 128 μg/mL[1]. Sinapaldehyde exhibits moderate antibacterial against Methicillin resistant S. aureus (MRSA) and E. coli with MIC values of 128 and 128 μg/mL[1].
Epibatidine
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
(R)-2-Benzylsuccinate
(R)-2-Benzylsuccinate is an aromatic compounds that is an intermediate in Benzoate degradation via CoA ligation. Biodegradation of aromatic compounds is a common process in anoxic environments. The many natural and synthetic aromatic compounds found in the environment are usually degraded by anaerobic microorganisms into only few central intermediates, prior to ring cleavage. Benzoyl-CoA is the most important of these intermediates since a large number of compounds, including chloro-, nitro-, and aminobenzoates, aromatic hydrocarbons, and phenolic compounds, are initially converted to benzoyl-CoA prior to ring reduction and cleavage. (R)-2-Benzylsuccinate can be generated from toluene via the enzyme benzylsuccinate synthase (EC 4.1.99.11). It is then converted to Benzylsuccinyl-CoA via the enzyme benzylsuccinate CoA-transferase BbsE subunit (EC 2.8.3.15). [HMDB] (R)-2-Benzylsuccinate is an aromatic compounds that is an intermediate in Benzoate degradation via CoA ligation. Biodegradation of aromatic compounds is a common process in anoxic environments. The many natural and synthetic aromatic compounds found in the environment are usually degraded by anaerobic microorganisms into only few central intermediates, prior to ring cleavage. Benzoyl-CoA is the most important of these intermediates since a large number of compounds, including chloro-, nitro-, and aminobenzoates, aromatic hydrocarbons, and phenolic compounds, are initially converted to benzoyl-CoA prior to ring reduction and cleavage. (R)-2-Benzylsuccinate can be generated from toluene via the enzyme benzylsuccinate synthase (EC 4.1.99.11). It is then converted to Benzylsuccinyl-CoA via the enzyme benzylsuccinate CoA-transferase BbsE subunit (EC 2.8.3.15). KEIO_ID B005
Dihydrolipoate
Dihydrolipoic acid is an organic compound that is the reduced form of lipoic acid. This carboxylic acid features a pair of thiol groups. It is optically active but only the R-enantiomer is biochemically significant. The lipoic acid/dihydrolipoic acid pair participate in a variety of biochemical transformations.( from Wiki). Inside the cell, alpha lipoic acid is readily reduced or broken down to dihydrolipoic acid. Dihydrolipoic acid is even more potent than alpha lipoic acid, neutralizing free radicals, preventing them from causing harm. It directly destroys damaging superoxide radicals, hydroperoxy radicals and hydroxyl radicals. It has been shown in vitro that dihydrolipoate (DL-6,8-dithioloctanoic acid) has antioxidant activity against microsomal lipid peroxidation.Dihydrolipoate is tested for its neuroprotective activity using models of hypoxic and excitotoxic neuronal damage in vitro and rodent models of cerebral ischemia in vivo. Dihydrolipoate, similarly to dimethylthiourea, is able to protect neurons against ischemic damage by diminishing the accumulation of reactive oxygen species within the cerebral tissue.(PMID: 1345759). Dihydrolipoic acid is an organic compound that is the reduced form of lipoic acid. This carboxylic acid features a pair of thiol groups. It is optically active but only the R-enantiomer is biochemically significant. The lipoic acid/dihydrolipoic acid pair participate in a variety of biochemical transformations.( from Wiki) D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE standard compound; INTERNAL_ID 162
6-Methoxymellein
Isolated from Aspergillus caespitosus, Aspergillus variecolor and Sporormia bipartis. Reaches fungitoxic levels in stored infected carrot. Shows broad antimicrobial action. 6-Methoxymellein is found in wild carrot, root vegetables, and carrot. 6-Methoxymellein is found in carrot. 6-Methoxymellein is isolated from Aspergillus caespitosus, Aspergillus variecolor and Sporormia bipartis. Reaches fungitoxic levels in stored infected carrot. Shows broad antimicrobial action.
Caffeic acid ethyl ester
Caffeic acid ethyl ester, also known as (E)-ethyl 3,4-dihydroxycinnamate or (E)-ethyl caffeate, belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Caffeic acid ethyl ester is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Caffeic acid ethyl ester can be found in eggplant and vinegar, which makes caffeic acid ethyl ester a potential biomarker for the consumption of these food products. Ethyl caffeate is an ester of an hydroxycinnamic acid, a naturally occurring organic compound . Ethyl trans-caffeate is an ethyl ester resulting from the formal condensation of the carboxy group of trans-caffeic acid with ethanol. It has a role as an anti-inflammatory agent and an antineoplastic agent. It is an alkyl caffeate ester and an ethyl ester. It is functionally related to a trans-caffeic acid. Ethyl caffeate is a natural product found in Cichorium endivia, Cichorium pumilum, and other organisms with data available. Ethyl Caffeate is a natural phenolic compound isolated from Bidens pilosa. Ethyl caffeate suppresses NF-κB activation and its downstream inflammatory mediators, inducible nitric oxide synthase (iNOS), cyclooxygenase-2 (COX-2), and prostaglandin E2 (PGE2) in vitro or in mouse skin[1]. Ethyl Caffeate is a natural phenolic compound isolated from Bidens pilosa. Ethyl caffeate suppresses NF-κB activation and its downstream inflammatory mediators, inducible nitric oxide synthase (iNOS), cyclooxygenase-2 (COX-2), and prostaglandin E2 (PGE2) in vitro or in mouse skin[1].
Anthriscinol
Anthriscinol is found in herbs and spices. Anthriscinol is a constituent of Myristica fragrans (nutmeg). Constituent of Myristica fragrans (nutmeg). Anthriscinol is found in herbs and spices. Anthriscinol is a member of benzodioxoles.
3-(3,4-Dimethoxyphenyl)-2-propenoic acid
3,4-dimethoxycinnamic acid is a methoxycinnamic acid that is trans-cinnamic acid substituted by methoxy groups at positions 3 and 4 respectively. It is functionally related to a trans-cinnamic acid. 3,4-Dimethoxycinnamic acid is a natural product found in Sibiraea angustata, Verbesina gigantea, and other organisms with data available. 3-(3,4-Dimethoxyphenyl)-2-propenoic acid is found in beverages. 3-(3,4-Dimethoxyphenyl)-2-propenoic acid is found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002 Found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002) (E)-3,4-Dimethoxycinnamic acid is the less active isomer of 3,4-Dimethoxycinnamic acid. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. (E)-3,4-Dimethoxycinnamic acid is the less active isomer of 3,4-Dimethoxycinnamic acid. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1].
3-(3-Methoxy-4,5-methylenedioxyphenyl)-2-propen-1-ol
3-(3-Methoxy-4,5-methylenedioxyphenyl)-2-propen-1-ol is found in herbs and spices. 3-(3-Methoxy-4,5-methylenedioxyphenyl)-2-propen-1-ol is a constituent of Myristica fragrans (nutmeg). Constituent of Myristica fragrans (nutmeg). 3-(3-Methoxy-4,5-methylenedioxyphenyl)-2-propen-1-ol is found in herbs and spices.
5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone (CAS: 21618-92-8) is a cocoa metabolite from gut microflora. It is found in urine. 5-(3,4-Dihydroxyphenyl)-gamma-valerolactone is a flavonoid metabolite.
1-(2-Methoxy-3,4-methylenedioxyphenyl)-1-propanone
1-(2-Methoxy-3,4-methylenedioxyphenyl)-1-propanone is found in herbs and spices. 1-(2-Methoxy-3,4-methylenedioxyphenyl)-1-propanone is a constituent of Anethum sowa (Indian dill). Constituent of Anethum sowa (Indian dill). 1-(2-Methoxy-3,4-methylenedioxyphenyl)-1-propanone is found in herbs and spices.
5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone
5-(3,5-Dihydroxyphenyl)-gamma-valerolactone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Aminofurantoin
Aminofurantoin is a metabolite of nitrofurantoin. Nitrofurantoin is an antibiotic which is marketed under the following brand names; Urifast 100mg (The BID Nitrofurantoin, Brand of Cipla Uro1)Niftran, Furadantin, Furabid, Macrobid, Macrodantin, Nitrofur Mac, Nitro Macro, Nifty-SR, Martifur-MR, Martifur-100 (in India), Urantoin, and Uvamin (in Middle East). It is usually used in treating urinary tract infection. It is often used against E. coli. (Wikipedia)
5-(3',4'-Dihydroxyphenyl)-γ-valerolactone
A polyphenol metabolite detected in biological fluids [PhenolExplorer]
(+)-Epibatidine
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
3,5-Dimethyl-2-(3-pyridyl)thiazolidin-4-one
Methyl ferulate
Methyl ferulate, also known as methyl ferulic acid, belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Methyl ferulate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Methyl ferulate can be found in garden onion, which makes methyl ferulate a potential biomarker for the consumption of this food product. Ferulic acid methyl ester (Methyl ferulate) is a derivative of ferulic acid, isolated from Stemona tuberosa, with anti-inflammatory and antioxidant properties[1][2]. Ferulic acid methyl ester is a cell membrane and brain permeable compound, shows free radical scavenging ability, used in the research of neurodegenerative disorders[1]. Ferulic acid methyl ester inhibits COX-2 expression, blocks p-p38 and p-JNK in primary bone marrow derived-macrophages[2]. Ferulic acid methyl ester (Methyl ferulate) is a derivative of ferulic acid, isolated from Stemona tuberosa, with anti-inflammatory and antioxidant properties[1][2]. Ferulic acid methyl ester is a cell membrane and brain permeable compound, shows free radical scavenging ability, used in the research of neurodegenerative disorders[1]. Ferulic acid methyl ester inhibits COX-2 expression, blocks p-p38 and p-JNK in primary bone marrow derived-macrophages[2].
4-O-Methylglucuronic acid
4-o-methylglucuronic acid belongs to glucuronic acid derivatives class of compounds. Those are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. 4-o-methylglucuronic acid is soluble (in water) and a weakly acidic compound (based on its pKa). 4-o-methylglucuronic acid can be found in cashew nut and european plum, which makes 4-o-methylglucuronic acid a potential biomarker for the consumption of these food products.
Methyl
Trans-methylferulate is a cinnamate ester that is the methyl ester of ferulic acid. It has been isolated from Pisonia aculeata. It has a role as a plant metabolite. It is a cinnamate ester, a methyl ester and a member of guaiacols. It is functionally related to a ferulic acid. Methyl ferulate is a natural product found in Iris milesii, Coreopsis grandiflora, and other organisms with data available. See also: Black Cohosh (part of). A cinnamate ester that is the methyl ester of ferulic acid. It has been isolated from Pisonia aculeata. Ferulic acid methyl ester (Methyl ferulate) is a derivative of ferulic acid, isolated from Stemona tuberosa, with anti-inflammatory and antioxidant properties[1][2]. Ferulic acid methyl ester is a cell membrane and brain permeable compound, shows free radical scavenging ability, used in the research of neurodegenerative disorders[1]. Ferulic acid methyl ester inhibits COX-2 expression, blocks p-p38 and p-JNK in primary bone marrow derived-macrophages[2]. Ferulic acid methyl ester (Methyl ferulate) is a derivative of ferulic acid, isolated from Stemona tuberosa, with anti-inflammatory and antioxidant properties[1][2]. Ferulic acid methyl ester is a cell membrane and brain permeable compound, shows free radical scavenging ability, used in the research of neurodegenerative disorders[1]. Ferulic acid methyl ester inhibits COX-2 expression, blocks p-p38 and p-JNK in primary bone marrow derived-macrophages[2].
Methyl ferulate
Ferulic acid methyl ester (Methyl ferulate) is a derivative of ferulic acid, isolated from Stemona tuberosa, with anti-inflammatory and antioxidant properties[1][2]. Ferulic acid methyl ester is a cell membrane and brain permeable compound, shows free radical scavenging ability, used in the research of neurodegenerative disorders[1]. Ferulic acid methyl ester inhibits COX-2 expression, blocks p-p38 and p-JNK in primary bone marrow derived-macrophages[2]. Ferulic acid methyl ester (Methyl ferulate) is a derivative of ferulic acid, isolated from Stemona tuberosa, with anti-inflammatory and antioxidant properties[1][2]. Ferulic acid methyl ester is a cell membrane and brain permeable compound, shows free radical scavenging ability, used in the research of neurodegenerative disorders[1]. Ferulic acid methyl ester inhibits COX-2 expression, blocks p-p38 and p-JNK in primary bone marrow derived-macrophages[2].
Methylferulic acid
3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1].
8-Hydroxy-6-methoxy-3-methyl-3,4-dihydroisocoumarin
2,3-Dihydro-7-methoxy-2-methyl-5,6-methylenedioxybenzofuran
3-Methyl-6-hydroxy-8-methoxy-3,4-dihydroisocoumarin
7-Me ether-2,3-Dihydro-5,7-dihydroxy-2-methyl-4H-1-benzopyran-4-one
3,4-Dihydro-3,4,8-trihydroxy-3-methyl-1(2H)-naphthalenone
O2-methyl-D-galacturonic acid|O2-Methyl-D-galacturonsaeure
(1E)-3-methyl-6-(1-methyl-2-methoxycarbonylvinyl)-alpha-pyrone
3-allyl-3a,5,6,6a-tetrahydro-2,3a-dihydroxypentalene-1,4-dione|xialenon E
4-O-Methyl-D-glucuronsaeure|O3-methyl-D-glucuronic acid|O3-Methyl-D-glucuronsaeure
3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-1H-2-benzopyran-1-one
methyl (E)-3-(4-hydroxy-2-methoxyphenyl)propenoate|Methylisoferulat
1-Chloro-3-(2-chloropropan-2-yl)-1-methylcyclohexane
1-(2,4-dihydroxy-6-methoxy-phenyl)-but-2(E)-en-1-one
(3S,4R)-4,8-dihydroxy-3-methoxy-3,4-dihydro-1(2H)-naphthalenone
Methyl kakuol
1-(6-Methoxy-2H-1,3-benzodioxol-5-yl)propan-1-one is a natural product found in Piper marginatum with data available.
nigerapyrone E
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4, a methyl group at position 3 and a 3-oxobut-1-en-1-yl group at position 6. It has been isolated from an endophytic fungus Aspergillus niger.
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, ethyl ester
3-Ethyl-6-methoxy-7-hydroxyisobenzofuran-1(3H)-one
3-methyl-5-methoxy-8-hydroxy-3,4-dihydroisocoumarin
3-allyl-3a,5,6,6a-tetrahydro-2,6a-dihydroxypentalene-1,4-dione|xialenon D
AI3-23713
Trans-methylferulate is a cinnamate ester that is the methyl ester of ferulic acid. It has been isolated from Pisonia aculeata. It has a role as a plant metabolite. It is a cinnamate ester, a methyl ester and a member of guaiacols. It is functionally related to a ferulic acid. Methyl ferulate is a natural product found in Iris milesii, Coreopsis grandiflora, and other organisms with data available. See also: Black Cohosh (part of). Ferulic acid methyl ester (Methyl ferulate) is a derivative of ferulic acid, isolated from Stemona tuberosa, with anti-inflammatory and antioxidant properties[1][2]. Ferulic acid methyl ester is a cell membrane and brain permeable compound, shows free radical scavenging ability, used in the research of neurodegenerative disorders[1]. Ferulic acid methyl ester inhibits COX-2 expression, blocks p-p38 and p-JNK in primary bone marrow derived-macrophages[2]. Ferulic acid methyl ester (Methyl ferulate) is a derivative of ferulic acid, isolated from Stemona tuberosa, with anti-inflammatory and antioxidant properties[1][2]. Ferulic acid methyl ester is a cell membrane and brain permeable compound, shows free radical scavenging ability, used in the research of neurodegenerative disorders[1]. Ferulic acid methyl ester inhibits COX-2 expression, blocks p-p38 and p-JNK in primary bone marrow derived-macrophages[2].
3,4-Dimethoxycinnamic acid
Annotation level-1 Acquisition and generation of the data is financially supported in part by CREST/JST. (E)-3,4-Dimethoxycinnamic acid is the less active isomer of 3,4-Dimethoxycinnamic acid. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. (E)-3,4-Dimethoxycinnamic acid is the less active isomer of 3,4-Dimethoxycinnamic acid. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1].
3,5-Dimethoxycinnamic acid
Annotation level-1 Acquisition and generation of the data is financially supported in part by CREST/JST.
Kynurenine
A ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.061 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.060 2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid is an endogenous metabolite. L-Kynurenine is a metabolite of the amino acid L-tryptophan. L-Kynurenine is an aryl hydrocarbon receptor agonist.
(E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
Dimethoxycinnamic acid
3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1].
C11H12O4_1H-2-Benzopyran-1-one, 3,4-dihydro-6-hydroxy-8-methoxy-3-methyl
L-Kynurenine
A kynurenine that has L configuration. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; YGPSJZOEDVAXAB-QMMMGPOBSA-N_STSL_0006_L-Kynurenine_2000fmol_180416_S2_LC02_MS02_52; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. L-Kynurenine is a metabolite of the amino acid L-tryptophan. L-Kynurenine is an aryl hydrocarbon receptor agonist.
2-Benzylsuccinic acid
A dicarboxylic acid consisting of succinic acid carrying a 2-benzyl substituent.
Dimethylcaffeic acid
(E)-3,4-Dimethoxycinnamic acid is the less active isomer of 3,4-Dimethoxycinnamic acid. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. (E)-3,4-Dimethoxycinnamic acid is the less active isomer of 3,4-Dimethoxycinnamic acid. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1].
2,5-Dimethoxycinnamic acid
1-(2-Methoxy-3,4-methylenedioxyphenyl)-1-propanone
ETHYL 4-OXO-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLATE
3-Amino-5-fluoro-1H-indole-2-carboxylic acid methyl ester
2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
6-methoxy-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-b]pyridine
2-[(R)-amino(cyclopropyl)methyl]benzonitrile,hydrochloride
2-[(S)-amino(cyclopropyl)methyl]benzonitrile,hydrochloride
3-[(S)-amino(cyclopropyl)methyl]benzonitrile,hydrochloride
4-[(S)-amino(cyclopropyl)methyl]benzonitrile,hydrochloride
1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, ethyl ester, (2S)-
(2-FLUORO-3-METHYL-6-(TRIFLUOROMETHYL)PHENYL)HYDRAZINE
(5,6-DIMETHYL-THIENO[2,3-D]PYRIMIDIN-4-YL)-HYDRAZINE
2-(2,1,3-Benzoxadiazol-5-yloxy)-N-hydroxyethanimidamide
(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate
ethyl 6-fluoroimidazo[1,2-a]pyridine-2-carboxylate
Ethyl 2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylate
8a-(Trifluoromethyl)hexahydropyrrolo[1,2-a]pyrimidin-6(7H)-one
5-fluoro-3-((trimethylsilyl)ethynyl)pyridin-2-amine
6-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
(E)-3-(4-Amino-3,5-dimethylphenyl)acrylonitrile hydrochloride
ETHYL4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]THIAZOLE-5-CARBOXYLATE
(E)-N-HYDROXY-2-(3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)ACETIMIDAMIDE
6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1-BENZOFURAN-3-CARBOXYLIC ACID
2-BENZO[1,3]DIOXOL-5-YL-PROPIONIC ACID METHYL ESTER
4-HYDROXY-2,2-DIMETHYL-2,3-DIHYDROBENZOFURAN-6-CARBOXYLIC ACID
dimethyl bicyclo[2.2.1]hepta-2,5-diene-5,6-dicarboxylate
4-Chloro-2-(2-methyl-2-propanyl)-1H-pyrrolo[2,3-b]pyridine
6-(BENZYLOXY)-9-(1S,3R,4S)-4-(BENZYLOXY)-3-(BENZYOXYMETHYL)-2-METHYLENECYCLOPENTYL)-9H-PURIN-2-AMINE
3-(4-hydroxy-3-methoxyphenyl)-2-methylprop-2-enoic acid
2-Methyl-3-[(3,4-methylenedioxy)phenyl]propionic acid
Ethyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
ethyl 4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylate
Pyrrolo[3,4-b]pyrrole, octahydro-1-(trifluoroacetyl)- (9CI)
[2R,4R,5R]-5-hydroxy-2-phenyl-[1,3]dioxane-4-carbaldehyde
methyl 6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate
N-Hydroxy-2-(3-trifluoromethyl-pyrazol-1-yl)-acetamidine
3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-propionic acid
METHYL 2-OXO-5,6,7,8-TETRAHYDRO-2H-CHROMENE-3-CARBOXYLATE
5-Fluoro-1H-indazole-3-carboxylic acid ethyl ester
1H-Indene-4-carboxylicacid,2,3,5,6,7,7a-hexahydro-7a-methyl-1,5-dioxo-(9CI)
7-Fluoro-3,4-dihydro-4-methyl-1h-1,4-benzodiazepine-2,5-dione
2-amino-4-oxo-7,8-dihydro-1H-pteridine-6-carboxamide
Monoisopropyl phthalate
A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of isopropanol.
Methyl 3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylate
(+/-)-epibatidine
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
102-37-4
Ethyl Caffeate is a natural phenolic compound isolated from Bidens pilosa. Ethyl caffeate suppresses NF-κB activation and its downstream inflammatory mediators, inducible nitric oxide synthase (iNOS), cyclooxygenase-2 (COX-2), and prostaglandin E2 (PGE2) in vitro or in mouse skin[1]. Ethyl Caffeate is a natural phenolic compound isolated from Bidens pilosa. Ethyl caffeate suppresses NF-κB activation and its downstream inflammatory mediators, inducible nitric oxide synthase (iNOS), cyclooxygenase-2 (COX-2), and prostaglandin E2 (PGE2) in vitro or in mouse skin[1].
AIDS-021439
(E)-3,4-Dimethoxycinnamic acid is the less active isomer of 3,4-Dimethoxycinnamic acid. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. (E)-3,4-Dimethoxycinnamic acid is the less active isomer of 3,4-Dimethoxycinnamic acid. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1].
2,4-Dihydroxy-3-methyl-6-(2-oxopropyl)benzaldehyde
A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde in which the hydrogens at positions 3 and 6 have been replaced by a methyl and 2-oxopropyl groups, respectively.
3,3-Dimethoxy-1-phenylpropane-1,2-dione
An alpha-diketone that is 1-phenyl-1,2-propanedione substituted by two methoxy groups at position 3.
(3R,4S)-3-(6-chloro-3-pyridyl)-7-azabicyclo[2.2.1]heptane
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
1-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one
N,N-dihydroxydihomomethioninate
Conjugate base of N,N-dihydroxydihomomethionine.
1,3-Dimethyl-2H-pyrimido(1,2-A)(1,3,5)triazine-2,4,8-(1H,3H)-trione
(R)-dihydrolipoic acid
The (R)-enantiomer and bioactive form of dihydrolipoic acid.
methyl beta-D-glucuronoside
A derivative of beta-D-glucuronic acid in which a methyl group is present at the anomeric position.
Dihydrolipoic acid
A thio-fatty acid that is reduced form of lipoic acid. A potent antioxidant shown to directly destroy superoxide, hydroperoxy and hydroxyl radicals; also has neuroprotective and anti-tumour effects. D020011 - Protective Agents > D000975 - Antioxidants
3-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
3-Methyl-6-methoxy-8-hydroxy-3,4-dihydroisocoumarin
3-(3-Methoxy-4,5-methylenedioxyphenyl)-2-propen-1-ol
methyl (2e)-3-(5-hydroxy-2-methoxyphenyl)prop-2-enoate
(2s,3z,3ar)-2-hydroxy-6a-(hydroxymethyl)-3-(prop-2-en-1-ylidene)-2h,3ah-cyclopenta[b]furan-4-one
(4s)-4,8-dihydroxy-5-methoxy-3,4-dihydro-2h-naphthalen-1-one
(5e)-5-[(2e)-4-hydroxybut-2-en-1-ylidene]-3-[(1z)-3-hydroxyprop-1-en-1-yl]furan-2-one
(5z)-5-[(2e)-4-hydroxybut-2-en-1-ylidene]-3-[(1e)-3-hydroxyprop-1-en-1-yl]furan-2-one
(2s,3s)-3,7-dihydroxy-2,5-dimethyl-2,3-dihydro-1-benzopyran-4-one
(3r,4s)-8-hydroxy-4-methoxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
methyl (2s,3s,4s,5r)-2,3,4,5-tetrahydroxy-6-oxohexanoate
(4r)-4,6,8-trihydroxy-5-methyl-3,4-dihydro-2h-naphthalen-1-one
3,6-dihydroxy-4-methoxy-5-methyl-2,3-dihydroinden-1-one
4-hydroxy-6-[(1e,3e)-5-hydroxypenta-1,3-dien-1-yl]-3-methylpyran-2-one
(2e)-3-(3,4-dihydroxyphenyl)-2-methylbut-2-enoic acid
(1s,6s,12s)-12-hydroxy-8-oxatricyclo[4.3.3.0¹,⁶]dodec-4-ene-3,9-dione
3,4-Dioxymethulene-5methoxy-1-(1-oxopropyl) benzene
{"Ingredient_id": "HBIN007465","Ingredient_name": "3,4-Dioxymethulene-5methoxy-1-(1-oxopropyl) benzene","Alias": "3,4-dioxymethulene-5methoxy-1-(1-oxopropyl)benzene","Ingredient_formula": "C11H12O4","Ingredient_Smile": "Not Available","Ingredient_weight": "208.23","OB_score": "44.66835922","CAS_id": "NA","SymMap_id": "SMIT00897","TCMID_id": "25823","TCMSP_id": "MOL008882","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dioxymethylene-5-methoxy-1-(1-oxo-propyl)benzene
{"Ingredient_id": "HBIN007466","Ingredient_name": "3,4-dioxymethylene-5-methoxy-1-(1-oxo-propyl)benzene","Alias": "NA","Ingredient_formula": "C11H12O4","Ingredient_Smile": "CCC(=O)C1=CC2=C(C(=C1)OC)OCO2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6478","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(4r)-5,8-dihydroxy-4-methoxy-α-tetralone
{"Ingredient_id": "HBIN010864","Ingredient_name": "(4r)-5,8-dihydroxy-4-methoxy-\u03b1-tetralone","Alias": "NA","Ingredient_formula": "C11H12O4","Ingredient_Smile": "COC1CCC(=O)C2=C(C=CC(=C12)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6005","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(4s)-4,8-dihydroxy-5-methoxy-α-tetralone
{"Ingredient_id": "HBIN010882","Ingredient_name": "(4s)-4,8-dihydroxy-5-methoxy-\u03b1-tetralone","Alias": "NA","Ingredient_formula": "C11H12O4","Ingredient_Smile": "COC1=C2C(CCC(=O)C2=C(C=C1)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6004","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(4s)-5,8-dihydroxy-4-methoxy-α-tetralone
{"Ingredient_id": "HBIN010895","Ingredient_name": "(4s)-5,8-dihydroxy-4-methoxy-\u03b1-tetralone","Alias": "NA","Ingredient_formula": "C11H12O4","Ingredient_Smile": "COC1CCC(=O)C2=C(C=CC(=C12)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6006","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
