Exact Mass: 211.0692
Exact Mass Matches: 211.0692
Found 500 metabolites which its exact mass value is equals to given mass value 211.0692,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Milrinone
Milrinone is a member of the class of bipyridines that is 2-pyridone which is substituted at positions 3, 5, and 6 by cyano, pyrid-4-yl, and methyl groups, respectively. It is used (particularly intravenously, as the lactate) for the short-term management of severe heart failure. It has a role as an EC 3.1.4.17 (3,5-cyclic-nucleotide phosphodiesterase) inhibitor, a platelet aggregation inhibitor, a vasodilator agent and a cardiotonic drug. It is a pyridone, a nitrile and a member of bipyridines. Heart failure is a multifactorial condition that affects roughly 1-2\\% of the adult population. Often the result of long-term myocardial ischemia, cardiomyopathy, or other cardiac insults, heart failure results from an inability of the heart to perfuse peripheral tissues with sufficient oxygen and metabolites, resulting in complex systemic pathologies. Heart failure is underpinned by numerous physiological changes, including alteration in β-adrenergic signalling and cyclic adenosine monophosphate (cAMP) production, which affects the hearts contractile function and cardiac output. Milrinone is a second-generation bipyridine phosphodiesterase (PDE) inhibitor created through chemical modification of [amrinone]. As a PDE-III inhibitor, milrinone results in increased cAMP levels and improves cardiac function and peripheral vasodilation in acute decongested heart failure. Milrinone was originally synthesized at the Sterling Winthrop Research Institute in the 1980s. It was approved by the FDA on December 31, 1987, and was marketed under the trademark PRIMACOR® by Sanofi-Aventis US before being discontinued. Milrinone is a Phosphodiesterase 3 Inhibitor. The mechanism of action of milrinone is as a Phosphodiesterase 3 Inhibitor. Milrinone is a cardiovascular bipyridine agent and phosphodiesterase (PDE) III inhibitor, with positive inotropic and vasodilator activities. Upon administration, milrinone selectively inhibits PDE-mediated degradation of cyclic adenosine monophosphate (cAMP) in the heart and vascular muscles, thereby increasing cAMP and activates protein kinase A (PKA). This leads to phosphorylation of calcium ion channels and improve myocardium contractile force. Milrinone also causes vasodilation in arteriolar and venous vascular smooth muscle. A positive inotropic cardiotonic agent with vasodilator properties. It inhibits cAMP phosphodiesterase type 3 activity in myocardium and vascular smooth muscle. Milrinone is a derivative of amrinone and has 20-30 times the inotropic potency of amrinone. See also: Milrinone Lactate (active moiety of). Milrinone is only found in individuals that have used or taken this drug. It is a positive inotropic cardiotonic agent with vasodilator properties. Milrinone inhibits erythrocyte phosphodiesterase, resulting in an increase in erythrocyte cAMP activity. Subsequently, the erythrocyte membrane becomes more resistant to deformity. Along with erythrocyte activity, Milrinone also decreases blood viscosity by reducing plasma fibrinogen concentrations and increasing fibrinolytic activity. It also inhibits cAMP phosphodiesterase activity in myocardium and vascular smooth muscle. Milrinone is a derivative of amrinone and has 20-30 times the ionotropic potency of amrinone. [PubChem] C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CE - Phosphodiesterase inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents KEIO_ID M037; [MS2] KO009062 KEIO_ID M037
Methyldopa
Methyl dopa appears as colorless or almost colorless crystals or white to yellowish-white fine powder. Almost tasteless. In the sesquihydrate form. pH (saturated aqueous solution) about 5.0. (NTP, 1992) Alpha-methyl-L-dopa is a derivative of L-tyrosine having a methyl group at the alpha-position and an additional hydroxy group at the 3-position on the phenyl ring. It has a role as a hapten, an antihypertensive agent, an alpha-adrenergic agonist, a peripheral nervous system drug and a sympatholytic agent. It is a L-tyrosine derivative and a non-proteinogenic L-alpha-amino acid. Methyldopa, or α-methyldopa, is a centrally acting sympatholytic agent and an antihypertensive agent. It is an analog of DOPA (3,4‐hydroxyphenylanine), and it is a prodrug, meaning that the drug requires biotransformation to an active metabolite for therapeutic effects. Methyldopa works by binding to alpha(α)-2 adrenergic receptors as an agonist, leading to the inhibition of adrenergic neuronal outflow and reduction of vasoconstrictor adrenergic signals. Methyldopa exists in two isomers D-α-methyldopa and L-α-methyldopa, which is the active form. First introduced in 1960 as an antihypertensive agent, methyldopa was considered to be useful in certain patient populations, such as pregnant women and patients with renal insufficiency. Since then, methyldopa was largely replaced by newer, better-tolerated antihypertensive agents; however, it is still used as monotherapy or in combination with [hydrochlorothiazide]. Methyldopa is also available as intravenous injection, which is used to manage hypertension when oral therapy is unfeasible and to treat hypertensive crisis. Methyldopa anhydrous is a Central alpha-2 Adrenergic Agonist. The mechanism of action of methyldopa anhydrous is as an Adrenergic alpha2-Agonist. Methyldopa (alpha-methyldopa or α-methyldopa) is a centrally active sympatholytic agent that has been used for more than 50 years for the treatment of hypertension. Methyldopa has been clearly linked to instances of acute and chronic liver injury that can be severe and even fatal. Methyldopa is a phenylalanine derivative and an aromatic amino acid decarboxylase inhibitor with antihypertensive activity. Methyldopa is a prodrug and is metabolized in the central nervous system. The antihypertensive action of methyldopa seems to be attributable to its conversion into alpha-methylnorepinephrine, which is a potent alpha-2 adrenergic agonist that binds to and stimulates potent central inhibitory alpha-2 adrenergic receptors. This results in a decrease in sympathetic outflow and decreased blood pressure. Methyldopa or alpha-methyldopa (brand names Aldomet, Apo-Methyldopa, Dopamet, Novomedopa) is a centrally-acting adrenergic antihypertensive medication. Its use is now deprecated following introduction of alternative safer classes of agents. However it continues to have a role in otherwise difficult to treat hypertension and gestational hypertension (formerly known as pregnancy-induced hypertension). Methyldopa is an aromatic-amino-acid decarboxylase inhibitor in animals and in man. Only methyldopa, the L-isomer of alpha-methyldopa, has the ability to inhibit dopa decarboxylase and to deplete animal tissues of norepinephrine. In man the antihypertensive activity appears to be due solely to the L-isomer. About twice the dose of the racemate (DL-alpha-methyldopa) is required for equal antihypertensive effect. Methyldopa has no direct effect on cardiac function and usually does not reduce glomerular filtration rate, renal blood flow, or filtration fraction. Cardiac output usually is maintained without cardiac acceleration. In some patients the heart rate is slowed. Normal or elevated plasma renin activity may decrease in the course of methyldopa therapy. Methyldopa reduces both supine and standing blood pressure. Methyldopa usually produces highly effective lowering of the supine pressure with infrequent symptomatic postural hypotension. Exercise hy... Methyldopa or alpha-methyldopa (brand names Aldomet, Apo-Methyldopa, Dopamet, Novomedopa) is a centrally-acting adrenergic antihypertensive medication. Its use is now deprecated following introduction of alternative safer classes of agents. However it continues to have a role in otherwise difficult to treat hypertension and gestational hypertension (formerly known as pregnancy-induced hypertension). Methyldopa is an aromatic-amino-acid decarboxylase inhibitor in animals and in man. Only methyldopa, the L-isomer of alpha-methyldopa, has the ability to inhibit dopa decarboxylase and to deplete animal tissues of norepinephrine. In man the antihypertensive activity appears to be due solely to the L-isomer. About twice the dose of the racemate (DL-alpha-methyldopa) is required for equal antihypertensive effect. Methyldopa has no direct effect on cardiac function and usually does not reduce glomerular filtration rate, renal blood flow, or filtration fraction. Cardiac output usually is maintained without cardiac acceleration. In some patients the heart rate is slowed. Normal or elevated plasma renin activity may decrease in the course of methyldopa therapy. Methyldopa reduces both supine and standing blood pressure. Methyldopa usually produces highly effective lowering of the supine pressure with infrequent symptomatic postural hypotension. Exercise hypotension and diurnal blood pressure variations rarely occur. Methyldopa, in its active metabolite form, is a central alpha-2 receptor agonist. Using methyldopa leads to alpha-2 receptor-negative feedback to sympathetic nervous system (SNS) (centrally and peripherally), allowing peripheral sympathetic nervous system tone to decrease. Such activity leads to a decrease in total peripheral resistance (TPR) and cardiac output. When introduced it was a mainstay of antihypertensive therapy, but its use has declined, with increased use of other safer classes of agents. One of its important present-day uses is in the management of pregnancy-induced hypertension, as it is relatively safe in pregnancy compared to other antihypertensive drugs (Wikipedia). Methyldopa or alpha-methyldopa (brand names Aldomet, Apo-Methyldopa, Dopamet, Novomedopa) is a centrally-acting adrenergic antihypertensive medication. Its use is now deprecated following introduction of alternative safer classes of agents. However it continues to have a role in otherwise difficult to treat hypertension and gestational hypertension (formerly known as pregnancy-induced hypertension).; Methyldopa is an aromatic-amino-acid decarboxylase inhibitor in animals and in man. Only methyldopa, the L-isomer of alpha-methyldopa, has the ability to inhibit dopa decarboxylase and to deplete animal tissues of norepinephrine. In man the antihypertensive activity appears to be due solely to the L-isomer. About twice the dose of the racemate (DL-alpha-methyldopa) is required for equal antihypertensive effect. Methyldopa has no direct effect on cardiac function and usually does not reduce glomerular filtration rate, renal blood flow, or filtration fraction. Cardiac output usually is maintained without cardiac acceleration. In some patients the heart rate is slowed. Normal or elevated plasma renin activity may decrease in the course of methyldopa therapy. Methyldopa reduces both supine and standing blood pressure. Methyldopa usually produces highly effective lowering of the supine pressure with infrequent symptomatic postural hypotension. Exercise hypotension and diurnal blood pressure variations rarely occur.; Methyldopa, in its active metabolite form, is a central alpha-2 receptor agonist. Using methyldopa leads to alpha-2 receptor-negative feedback to sympathetic nervous system (SNS) (centrally and peripherally), allowing peripheral sympathetic nervous system tone to decrease. Such activity leads to a decrease in total peripheral resistance (TPR) and cardiac output.; When introduced it was a mainstay of antihypertensive therapy, but its use has declined, with increased use of other safer classes of agents. One of its important present-day uses is in the management of pregnancy-induced hypertension, as it is relatively safe in pregnancy compared to other antihypertensive drugs. C - Cardiovascular system > C02 - Antihypertensives > C02A - Antiadrenergic agents, centrally acting > C02AB - Methyldopa D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist Methyldopa (L-(-)-α-Methyldopa), a potent antihyoertensive agent, is an alpha-adrenergic agonist (selective for α2-adrenergic receptors). Methyldopa is a proagent and is metabolized (α-Methylepinephrine) in the central nervous system[1][2].
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
DIMBOA is a lactol that is DIBOA in which the hydrogen at position 7 is replaced by a methoxy group. It has been isolated from the maize plants. It has a role as a plant metabolite and an allelochemical. It is a lactol, a benzoxazine, an aromatic ether and a cyclic hydroxamic acid. It is functionally related to a DIBOA. 2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one is a natural product found in Trichoderma virens with data available. 2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products. 2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one is isolated from wheat, in which it is present mainly as glucoside. Appears to be a natural aphicide, insecticide and fungicide. Involved in the in vivo detoxification of herbicides , e.g. Simazin Isolated from wheat, in which it is present mainly as glucoside. Appears to be a natural aphicide, insecticide and fungicide. Involved in the in vivo detoxification of herbicides , e.g. Simazine. (R)-2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products and corn. A lactol that is DIBOA in which the hydrogen at position 7 is replaced by a methoxy group. It has been isolated from the maize plants. DIMBOA, an antibiotic, is a benzoxazinoid, part of the chemical defense system of graminaceous plants such as maize, wheat, and rye. DIMBOA possess growth inhibitory properties against many strains of studied bacteria and fungi, such as Staphylococcus aureus, Escherichia coli as well as against Saccharomyces cerevisiae. DIMBOA exhibits a potent free-radical scavenging activity and a weaker iron (III) ions reducing activity. Antioxidant activity[1][2].
propachlor
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 708 CONFIDENCE standard compound; INTERNAL_ID 3622 CONFIDENCE standard compound; INTERNAL_ID 8397
Nicorandil
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D018977 - Micronutrients > D014815 - Vitamins Same as: D01810 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Betalamic acid
Betalamic acid is found in common beet. Betalamic acid is a precursor of betalains pigments in plants of the Centrospermae. Betalamic acid is detected in Beta vulgaris (beetroot Precursor of betalains pigments in plants of the Centrospermae. Detected in Beta vulgaris (beetroot). Betalamic acid is found in red beetroot, common beet, and root vegetables. D004396 - Coloring Agents > D050858 - Betalains
2-Nitrofluorene
D004785 - Environmental Pollutants > D000393 - Air Pollutants D009676 - Noxae > D009153 - Mutagens
m-Chlorophenylbiguanide
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D007004 - Hypoglycemic Agents > D001645 - Biguanides
6-Carboxy-5,6,7,8-tetrahydropterin
This compound belongs to the family of Pterin Carboxylates. These are heterocyclic aromatic compounds containing a pterin moeity, in which one ring is substituted by one or more carboxylic acid groups.
4-(4-chlorophenyl)-4-hydroxypiperidine
4-(4-chlorophenyl)-4-hydroxypiperidine is a metabolite of haloperidol. Haloperidol is a typical antipsychotic. It is in the butyrophenone class of antipsychotic medications and has pharmacological effects similar to the phenothiazines. Haloperidol is an older antipsychotic used in the treatment of schizophrenia and acute psychotic states and delirium. (Wikipedia)
3-Methoxytyrosine
3-Methoxytyrosine, also known as 3-O-methyldopa or vanilalanine, belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 3-Methoxytyrosine is one of the main biochemical markers for Aromatic L-amino acid decarboxylase (AADC, EC4.1.1.28) deficiency, an inborn error of metabolism that affects serotonin and dopamine biosynthesis. Chronically high levels of 3-methoxytyrosine are associated with aromatic L-amino acid decarboxylase (AADC, 28) deficiency, an inborn error of metabolism that affects serotonin and dopamine biosynthesis. 3-Methoxytyrosine is a potentially toxic compound. 3-Methoxytyrosine, with regard to humans, has been found to be associated with several diseases such as epilepsy, early-onset, vitamin b6-dependent and pyridoxamine 5-prime-phosphate oxidase deficiency; 3-methoxytyrosine has also been linked to several inborn metabolic disorders including sepiapterin reductase deficiency and aromatic l-amino acid decarboxylase deficiency. 3-Methoxytyrosine is one of the main biochemical markers for Aromatic L-amino acid decarboxylase (AADC, EC 4.1.1.28) deficiency, an inborn error of metabolism that affects serotonin and dopamine biosynthesis. Patients are usually detected in infancy due to developmental delay, hypotonia, and extrapyramidal movements. Diagnosis is based on an abnormal neurotransmitter metabolite profile in CSF and reduced AADC activity in plasma. 3-methoxytyrosine is elevated in CSF, plasma, and urine. (PMID 1357595, 1281049, 16288991) [HMDB] 3-O-Methyldopa (3-Methoxy-L-tyrosine) is a metabolite of L-DOPA which is formed by catechol-O-methyltransferase (COMT). 3-O-Methyldopa competitively inhibits the pharmacodynamics of l-DOPA and dopamine[1]. 3-O-Methyldopa (3-Methoxy-L-tyrosine) is a metabolite of L-DOPA which is formed by catechol-O-methyltransferase (COMT). 3-O-Methyldopa competitively inhibits the pharmacodynamics of l-DOPA and dopamine[1].
Topaquinone
Topaquinone (TPQ), is the quinone of 2,4,5-trihydroxyphenylalanine. TPQ is the cofactor in most copper-containing amine oxidases. It is produced by post-translational modification of a strictly conserved active-site tyrosine residue with the participation of the copper ion at the active site. Once formed, TPQ acts as a switch between the heterolytic transformation of amine substrates to aldehydes, via a pyridoxal phosphate-like Schiff base complex, and one electron chemistry involving reduction of molecular oxygen (PMID: 12686122) [HMDB] Topaquinone (TPQ), is the quinone of 2,4,5-trihydroxyphenylalanine. TPQ is the cofactor in most copper-containing amine oxidases. It is produced by post-translational modification of a strictly conserved active-site tyrosine residue with the participation of the copper ion at the active site. Once formed, TPQ acts as a switch between the heterolytic transformation of amine substrates to aldehydes, via a pyridoxal phosphate-like Schiff base complex, and one electron chemistry involving reduction of molecular oxygen (PMID: 12686122).
Gentisuric acid
Gentisuric acid is a metabolite of aspirin in man. Gentisuric acid was synthesized from gentisic acid and glycine ethyl ester. (PMID: 417892) D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
1-Hydroxylorcaserin
1-Hydroxylorcaserin is a metabolite of lorcaserin. Lorcaserin (APD-356, trade name Lorqess) is a weight-loss drug developed by Arena Pharmaceuticals. It has serotonergic properties and acts as an anorectic. On 22 December 2009 a New Drug Application (NDA) was submitted to the Food and Drug Administration (FDA) in the United States. On 16 September 2010, an FDA advisory panel voted to recommend against approval of the drug based on concerns over both safety and efficacy. (Wikipedia)
3-O-Methyl-a-methyldopa
3-O-Methyl-a-methyldopa is a metabolite of methyldopa. Methyldopa (-α-Methyl-3,4-dihydroxyphenylalanine; Aldomet, Aldoril, Dopamet, Dopegyt, etc. ) is an alpha-adrenergic agonist (selective for α2-adrenergic receptors) psychoactive drug used as a sympatholytic or antihypertensive. Its use is now mostly deprecated following the introduction of alternative safer classes of agents. However, it continues to have a role in otherwise difficult to treat hypertension and gestational hypertension (also known as pregnancy-induced hypertension). (Wikipedia) 3-O-Methyldopa (3-Methoxy-L-tyrosine) is a metabolite of L-DOPA which is formed by catechol-O-methyltransferase (COMT). 3-O-Methyldopa competitively inhibits the pharmacodynamics of l-DOPA and dopamine[1]. 3-O-Methyldopa (3-Methoxy-L-tyrosine) is a metabolite of L-DOPA which is formed by catechol-O-methyltransferase (COMT). 3-O-Methyldopa competitively inhibits the pharmacodynamics of l-DOPA and dopamine[1].
5-Hydroxylorcaserin
5-Hydroxylorcaserin is a metabolite of lorcaserin. Lorcaserin (APD-356, trade name Lorqess) is a weight-loss drug developed by Arena Pharmaceuticals. It has serotonergic properties and acts as an anorectic. On 22 December 2009 a New Drug Application (NDA) was submitted to the Food and Drug Administration (FDA) in the United States. On 16 September 2010, an FDA advisory panel voted to recommend against approval of the drug based on concerns over both safety and efficacy. (Wikipedia)
7-Hydroxylorcaserin
7-Hydroxylorcaserin is a metabolite of lorcaserin. Lorcaserin (APD-356, trade name Lorqess) is a weight-loss drug developed by Arena Pharmaceuticals. It has serotonergic properties and acts as an anorectic. On 22 December 2009 a New Drug Application (NDA) was submitted to the Food and Drug Administration (FDA) in the United States. On 16 September 2010, an FDA advisory panel voted to recommend against approval of the drug based on concerns over both safety and efficacy. (Wikipedia)
N-Hydroxylorcaserin
N-Hydroxylorcaserin is a metabolite of lorcaserin. Lorcaserin (APD-356, trade name Lorqess) is a weight-loss drug developed by Arena Pharmaceuticals. It has serotonergic properties and acts as an anorectic. On 22 December 2009 a New Drug Application (NDA) was submitted to the Food and Drug Administration (FDA) in the United States. On 16 September 2010, an FDA advisory panel voted to recommend against approval of the drug based on concerns over both safety and efficacy. (Wikipedia)
4-Chlorophenylbiguanide
D007004 - Hypoglycemic Agents > D001645 - Biguanides
Avenin
Avenin, also known as prolamin protein, plant or prolamins, is a member of the class of compounds known as phosphate esters. Phosphate esters are organic compounds containing phosphoric acid ester functional group, with the general structure R1P(=O)(R2)OR3. R1,R2 = O,N, or halogen atom; R3 = organyl group. Avenin is soluble (in water) and a moderately acidic compound (based on its pKa). Avenin can be found in oat, which makes avenin a potential biomarker for the consumption of this food product. The oat (Avena sativa), sometimes called the common oat, is a species of cereal grain grown for its seed, which is known by the same name (usually in the plural, unlike other cereals and pseudocereals). While oats are suitable for human consumption as oatmeal and rolled oats, one of the most common uses is as livestock feed. Oats are a nutrient-rich food associated with lower blood cholesterol when consumed regularly .
3-Hydroxy-alpha-methyl-DL-tyrosine
C - Cardiovascular system > C02 - Antihypertensives > C02A - Antiadrenergic agents, centrally acting > C02AB - Methyldopa D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
3-(1H-Imidazol-5-ylmethylene)-1,3-dihydro-2H-indol-2-one
2-Amino-3-(2,4,5-trihydroxyphenyl)prop-2-enoic acid
O-demethylmurrayanine
A natural product found in Clausena harmandiana.
imidacloprid-urea
A imidazolidinone that is imidazolidin-2-one substituted by a (6-chloropyridin-3-yl)methyl group at position 1. It is a metabolite of the insecticide imidacloprid. CONFIDENCE standard compound; INTERNAL_ID 2591 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2956 CONFIDENCE standard compound; INTERNAL_ID 2049
7-methyl-5-phenyl-[1,2,3,4]tetrazolo[1,5-a]pyrimidine
4-Chlorophenylbiguanide
D007004 - Hypoglycemic Agents > D001645 - Biguanides
2-amino-3-(2,4-dihydroxy-6-methylphenyl)propanoic acid
4-methoxy-2,2-bipyridyl-6-carboxamidoxime|4-methoxy-6-cyano-2,2-bipyridyl|4-methoxy-[2,2]bipyridinyl-6-carbonitrile|Caeraloncyanonitril A|Caerulomycinonitril|caerulomycinonitrile
7-imino-7H,11H-pyrido[1,2-b][2,7]naphthyridin-6-one
4-formyl-2,3-dihydro-1H-azepine-2,7-dicarboxylic acid|Muscaflavin
N-[2,5-dihydroxy-4-(methoxymethyl)phenyl]acetamide
Methyl 5-(1,2-dihydroxypropyl)pyridine-2-carboxylate
methyl-(5-formyl-1H-pyrrole-2-yl)-4-hydroxybutyrate
N-[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]acetamide
N-[(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
NICORANDIL
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D018977 - Micronutrients > D014815 - Vitamins Same as: D01810 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Milrinone
CONFIDENCE standard compound; INTERNAL_ID 1122; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 869; ORIGINAL_PRECURSOR_SCAN_NO 865 C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CE - Phosphodiesterase inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents CONFIDENCE standard compound; INTERNAL_ID 1122; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 859; ORIGINAL_PRECURSOR_SCAN_NO 857 CONFIDENCE standard compound; INTERNAL_ID 1122; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 857; ORIGINAL_PRECURSOR_SCAN_NO 854 CONFIDENCE standard compound; INTERNAL_ID 1122; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 861; ORIGINAL_PRECURSOR_SCAN_NO 858 CONFIDENCE standard compound; INTERNAL_ID 1122; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 861; ORIGINAL_PRECURSOR_SCAN_NO 859 CONFIDENCE standard compound; INTERNAL_ID 1122; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 863; ORIGINAL_PRECURSOR_SCAN_NO 859 CONFIDENCE standard compound; INTERNAL_ID 1122; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1584; ORIGINAL_PRECURSOR_SCAN_NO 1582 CONFIDENCE standard compound; INTERNAL_ID 1122; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1580; ORIGINAL_PRECURSOR_SCAN_NO 1578 CONFIDENCE standard compound; INTERNAL_ID 1122; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1589; ORIGINAL_PRECURSOR_SCAN_NO 1588 CONFIDENCE standard compound; INTERNAL_ID 1122; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1605; ORIGINAL_PRECURSOR_SCAN_NO 1603 CONFIDENCE standard compound; INTERNAL_ID 1122; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1600; ORIGINAL_PRECURSOR_SCAN_NO 1599 CONFIDENCE standard compound; INTERNAL_ID 1122; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1581; ORIGINAL_PRECURSOR_SCAN_NO 1580
Methyldopa
CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1003; ORIGINAL_PRECURSOR_SCAN_NO 1001 C - Cardiovascular system > C02 - Antihypertensives > C02A - Antiadrenergic agents, centrally acting > C02AB - Methyldopa D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1000; ORIGINAL_PRECURSOR_SCAN_NO 997 CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 999; ORIGINAL_PRECURSOR_SCAN_NO 998 CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 998; ORIGINAL_PRECURSOR_SCAN_NO 996 CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1004; ORIGINAL_PRECURSOR_SCAN_NO 1001 CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 996; ORIGINAL_PRECURSOR_SCAN_NO 994 CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1895; ORIGINAL_PRECURSOR_SCAN_NO 1893 CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1905; ORIGINAL_PRECURSOR_SCAN_NO 1903 CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1906; ORIGINAL_PRECURSOR_SCAN_NO 1904 CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1906; ORIGINAL_PRECURSOR_SCAN_NO 1903 Methyldopa (L-(-)-α-Methyldopa), a potent antihyoertensive agent, is an alpha-adrenergic agonist (selective for α2-adrenergic receptors). Methyldopa is a proagent and is metabolized (α-Methylepinephrine) in the central nervous system[1][2].
3-Methoxytyrosine
3-O-Methyldopa (3-Methoxy-L-tyrosine) is a metabolite of L-DOPA which is formed by catechol-O-methyltransferase (COMT). 3-O-Methyldopa competitively inhibits the pharmacodynamics of l-DOPA and dopamine[1]. 3-O-Methyldopa (3-Methoxy-L-tyrosine) is a metabolite of L-DOPA which is formed by catechol-O-methyltransferase (COMT). 3-O-Methyldopa competitively inhibits the pharmacodynamics of l-DOPA and dopamine[1].
3-O-Methyl-L-DOPA
3-O-Methyldopa (3-Methoxy-L-tyrosine) is a metabolite of L-DOPA which is formed by catechol-O-methyltransferase (COMT). 3-O-Methyldopa competitively inhibits the pharmacodynamics of l-DOPA and dopamine[1]. 3-O-Methyldopa (3-Methoxy-L-tyrosine) is a metabolite of L-DOPA which is formed by catechol-O-methyltransferase (COMT). 3-O-Methyldopa competitively inhibits the pharmacodynamics of l-DOPA and dopamine[1].
4-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)PHENOL HYDROCHLORIDE
3-Amino-3-[4-(methylsulfanyl)phenyl]propanoic acid
6-HYDROXY-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACIDHYDRATE
1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile
2,2-DIMETHYL-5-(2-TETRAHYDROPYRROLYLIDENE)-1,3-DIOXANE-4,6-DIONE
3-AMINO-3-(2-HYDROXY-3-METHOXY-PHENYL)-PROPIONIC ACID
N-[(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine
2-hydroxyethyl-dimethyl-(3-sulfopropyl)azanium,hydroxide
methyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate
3-(5-METHYL-1H-IMIDAZOL-2-YL)PROPAN-1-AMINE DIHYDROCHLORIDE
6,11-DIHYDRO-5H-BENZO[B]PYRIDO[2,3-E][1,4]DIAZEPIN-5-ONE
3-AMINO-3-(2-HYDROXY-4-METHOXY-PHENYL)-PROPIONIC ACID
5,6-Dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepine
methyl (3R,4S)-4-(trifluoromethyl)piperidine-3-carboxylate
Melevodopa
N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BA - Dopa and dopa derivatives D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist
1-(6-CHLORO-3-PYRIDAZINYL)TETRAHYDRO-4(1H)-PYRIDINONE
2-Ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-3-carboxylic acid
(2R)-2-(5-amino-1,3,4-oxadiazol-2-yl)-1,1,1-trifluorobutan-2-ol
(E)-1-(4-Chlorophenyl)-N-(trimethylsilyl)methanimine
5-hydroxy-2-(4-morpholinylmethyl)-4H-pyran-4-one(SALTDATA: FREE)
5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOTHIAZOLE
(3-(Dimethylcarbamoyl)-5-fluorophenyl)boronic acid
ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-cyanoprop-2-enoate
5-FORMYL-2-(4-METHYL-1H-IMIDAZOL-1-YL)BENZONITRILE
2-amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester
(S)-2-TERT-BUTOXYCARBONYLAMINO-3-(3-HYDROXY-PHENYL)-PROPIONICACID
1-(1,2,3,4-Tetrahydroisoquinolin-6-yl)ethanone hydrochloride
METHYL 3-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-2-CARBOXYLATE
4-methylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
2-(3-CHLOROPROPYL)-1,2,4-TRIAZOL-[4,3-A]PYRIDINE-3 (2H)-ONE
3-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
(S)-3-BOC-AMINO-1-DIAZO-3-(4-BENZYLOXY)PHENYL-2-BUTANONE
(4-(Dimethylcarbamoyl)-2-fluorophenyl)boronic acid
3-(3-Aminophenyl)-1H-pyrazol-5(4H)-one hydrochloride
((3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl)methanol
3-(3-CHLORO-PHENYL)-PROPIONIMIDIC ACID ETHYL ESTER
4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
3-AMINO-3-(4-HYDROXY-2-METHOXY-PHENYL)-PROPIONIC ACID
(5S)-3-(3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
3,3,3-trifluoro-2-(pyrrolidin-2-ylmethyl)propanoic acid
1-(3-(trifluoromethyl)phenyl)cyclopropanecarbonitrile
ethyl 3-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate
(4-(DIMETHYLCARBAMOYL)-3-FLUOROPHENYL)BORONIC ACID
(-)-6BETA-HYDROXYMETHYL-7ALPHA-HYDROXY-CIS-2-OXABICYCLO[3.3.0]OCTAN-3-ONE
1-(2-TRIFLUOROMETHYL-PHENYL)-CYCLOPROPANECARBONITRILE
Ethyl 4-Ethoxy-2-oxo-1,2-dihydropyridine-3-carboxylate
2-chloro-N-(dimethylaminomethylidene)pyridine-4-carboxamide
2-(2-methylbenzimidazol-1-yl)ethanamine,hydrochloride
(2R)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid
4-HYDROXY-6-METHYL-2-PHENYLPYRIMIDINE-5-CARBONITRILE
2-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)ethanol
2-(7-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)ethanol
2-(8-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)ethanol
2-AMINO-4-CYCLOPROPYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
2-(6-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)ethanol
Urea, 1-allyl-3-(3-ethyl-4-thiazolin-2-ylidene)- (8CI)
Ethyl 4-Fluoropiperidine-4-carboxylate Hydrochloride
3-(2,4-DIMETHYL-5-CARBOXY-1H-PYRROLE-3-YL)PROPANOIC ACID
2-(4-Methylpiperazino)-1,3-thiazole-5-carbaldehyde
(RS)-4-CARBOXY-3-HYDROXYPHENYLGLYCINE
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIAZOLE
3-(4-CHLORO-PHENYL)-PROPIONIMIDIC ACID ETHYL ESTER
(R)-3-(3-Fluorophenyl)-5-(hydroxymethyl)oxazolidin-2-one
2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID AMIDE
(5-(Dimethylcarbamoyl)-2-fluorophenyl)boronic acid
N-(2-AMINO-4,5,6,7-TETRAHYDROBENZO[D]THIAZOL-6-YL)ACETAMIDE
1-(tert-Butoxycarbonyl)-1H-pyrrole-2-carboxylic acid
2-amino-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
Caerulomycinonitrile
A pyridine alkaloid that is 2,2-bipyridine-6-carbonitrile substituted by a methoxy group at position 4. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity.
3-(3,4-Dihydroxyphenyl)-2-(methylamino)propanoic acid
8-(dimethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
2,4-Dihydroxy-7-(methyloxy)-2H-1,4-benzoxazin-3(4H)-one
4-formyl-2,3-dihydro-1H-azepine-2,7-dicarboxylic acid
(2S)-2-ammonio-3-(3,4-dihydroxy-5-methylphenyl)propanoate
4,6-Dihydroxy-2-(hydroxymethyl)-3,5-dimethylbenzoate
(2S,3S)-2-amino-3-hydroxy-4-(4-hydroxyphenyl)butanoic acid
(2S,3S,4S)-3-(carboxylatomethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylate
(2E)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]propanoic acid
3,4,5-Trimethoxybenzoate
The conjugate base of 3,4,5-trimethoxybenzoic acid.
4-O-methyl-L-dopa zwitterion
An aromatic L-alpha-amino acid zwitterion resulting from transfer of a proton from the carboxy to the amino group of 4-O-methyl-L-dopa. Major species at pH 7.3
m-Chlorophenylbiguanide
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D007004 - Hypoglycemic Agents > D001645 - Biguanides
5-hydroxy-3-methyl-L-tyrosine
A tyrosine derivative that is L-tyrosine in which the hydrogens at positions 3 and 5 on the phenyl ring are replaced by a methyl and hydroxy groups respectively.
2-Nitrofluorene
D004785 - Environmental Pollutants > D000393 - Air Pollutants D009676 - Noxae > D009153 - Mutagens
L-Methyldopa
C - Cardiovascular system > C02 - Antihypertensives > C02A - Antiadrenergic agents, centrally acting > C02AB - Methyldopa D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
4-O-methyl-L-dopa
An L-dopa in which the hydroxy group at position 4 is replaced by a methoxy group.
5-hydroxy-3-methyl-L-tyrosine zwitterion
An amino acid zwitterion resulting from a transfer of a proton from the carboxy to the amino group of 5-hydroxy-3-methyl-L-tyrosine; major species at pH 7.3.
alpha-Methyl-L-dopa
A derivative of L-tyrosine having a methyl group at the alpha-position and an additional hydroxy group at the 3-position on the phenyl ring.
3-O-methyldopa zwitterion
An aromatic L-alpha-amino acid zwitterion resulting from transfer of a proton from the carboxy to the amino group of 3-O-methyldopa. Major species at pH 7.3
(5-formyl-1h-pyrrol-2-yl)methyl 4-hydroxybutanoate
1-carbamoyl-beta-carboline
{"Ingredient_id": "HBIN002433","Ingredient_name": "1-carbamoyl-beta-carboline","Alias": "NA","Ingredient_formula": "C12H9N3O","Ingredient_Smile": "NA","Ingredient_weight": "211.22","OB_score": "NA","CAS_id": "38940-60-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9233","PubChem_id": "NA","DrugBank_id": "NA"}
