Exact Mass: 204.07461819999997
Exact Mass Matches: 204.07461819999997
Found 500 metabolites which its exact mass value is equals to given mass value 204.07461819999997,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
L-Tryptophan
Tryptophan (Trp) or L-tryptophan is an alpha-amino acid. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Amino acids are organic compounds that contain amino (–NH2) and carboxyl (–COOH) functional groups, along with a side chain (R group) specific to each amino acid. L-tryptophan is one of 20 proteinogenic amino acids, i.e., the amino acids used in the biosynthesis of proteins. Tryptophan is found in all organisms ranging from bacteria to plants to animals. It is classified as a non-polar, uncharged (at physiological pH) aromatic amino acid. Tryptophan is an essential amino acid, meaning the body cannot synthesize it, and it must be obtained from the diet. The requirement for tryptophan and protein decreases with age. The minimum daily requirement for adults is 3 mg/kg/day or about 200 mg a day. There is 400 mg of tryptophan in a cup of wheat germ. A cup of low-fat cottage cheese contains 300 mg of tryptophan and chicken and turkey contain up to 600 mg of tryptophan per pound (http://www.dcnutrition.com). Tryptophan is particularly plentiful in chocolate, oats, dried dates, milk, yogurt, cottage cheese, red meat, eggs, fish, poultry, sesame, chickpeas, almonds, sunflower seeds, pumpkin seeds, buckwheat, spirulina, and peanuts. Tryptophan is the precursor of both serotonin and melatonin. Melatonin is a hormone that is produced by the pineal gland in animals, which regulates sleep and wakefulness. Serotonin is a brain neurotransmitter, platelet clotting factor, and neurohormone found in organs throughout the body. Metabolism of tryptophan into serotonin requires nutrients such as vitamin B6, niacin, and glutathione. Niacin (also known as vitamin B3) is an important metabolite of tryptophan. It is synthesized via kynurenine and quinolinic acids, which are products of tryptophan degradation. There are a number of conditions or diseases that are characterized by tryptophan deficiencies. For instance, fructose malabsorption causes improper absorption of tryptophan in the intestine, which reduces levels of tryptophan in the blood and leads to depression. High corn diets or other tryptophan-deficient diets can cause pellagra, which is a niacin-tryptophan deficiency disease with symptoms of dermatitis, diarrhea, and dementia. Hartnups disease is a disorder in which tryptophan and other amino acids are not absorbed properly. Symptoms of Hartnups disease include skin rashes, difficulty coordinating movements (cerebellar ataxia), and psychiatric symptoms such as depression or psychosis. Tryptophan supplements may be useful for treating Hartnups disease. Assessment of tryptophan deficiency is done through studying excretion of tryptophan metabolites in the urine or blood. Blood may be the most sensitive test because the amino acid tryptophan is transported in a unique way. Increased urination of tryptophan breakdown products (such as kynurenine) correlates with increased tryptophan degradation, which occurs with oral contraception, depression, mental retardation, hypertension, and anxiety states. Tryptophan plays a role in "feast-induced" drowsiness. Ingestion of a meal rich in carbohydrates triggers the release of insulin. Insulin, in turn, stimulates the uptake of large neutral branched-chain amino acids (BCAAs) into muscle, increasing the ratio of tryptophan to BCAA in the bloodstream. The increased tryptophan ratio reduces competition at the large neutral amino acid transporter (which transports both BCAAs and tryptophan), resulting in greater uptake of tryptophan across the blood-brain barrier into the cerebrospinal fluid (CSF). Once in the CSF, tryptophan is converted into serotonin and the resulting serotonin is further metabolized into melatonin by the pineal gland, which promotes sleep. Because tryptophan is converted into 5-hydroxytryptophan (5-HTP) which is then converted into the neurotransmitter serotonin, it has been proposed th... L-tryptophan is a white powder with a flat taste. An essential amino acid; occurs in isomeric forms. (NTP, 1992) L-tryptophan is the L-enantiomer of tryptophan. It has a role as an antidepressant, a nutraceutical, a micronutrient, a plant metabolite, a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is an erythrose 4-phosphate/phosphoenolpyruvate family amino acid, a proteinogenic amino acid, a tryptophan and a L-alpha-amino acid. It is a conjugate base of a L-tryptophanium. It is a conjugate acid of a L-tryptophanate. It is an enantiomer of a D-tryptophan. It is a tautomer of a L-tryptophan zwitterion. An essential amino acid that is necessary for normal growth in infants and for nitrogen balance in adults. It is a precursor of indole alkaloids in plants. It is a precursor of serotonin (hence its use as an antidepressant and sleep aid). It can be a precursor to niacin, albeit inefficiently, in mammals. L-Tryptophan is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Tryptophan is the least plentiful of all 22 amino acids and an essential amino acid in humans (provided by food), Tryptophan is found in most proteins and a precursor of serotonin. Tryptophan is converted to 5-hydroxy-tryptophan (5-HTP), converted in turn to serotonin, a neurotransmitter essential in regulating appetite, sleep, mood, and pain. Tryptophan is a natural sedative and present in dairy products, meats, brown rice, fish, and soybeans. (NCI04) Tryptophan is an essential amino acid which is the precursor of serotonin. Serotonin is a brain neurotransmitter, platelet clotting factor and neurohormone found in organs throughout the body. Metabolism of tryptophan to serotonin requires nutrients such as vitamin B6, niacin and glutathione. Niacin is an important metabolite of tryptophan. High corn or other tryptophan-deficient diets can cause pellagra, which is a niacin-tryptophan deficiency disease with symptoms of dermatitis, diarrhea and dementia. Inborn errors of tryptophan metabolism exist where a tumor (carcinoid) makes excess serotonin. Hartnups disease is a disease where tryptophan and other amino acids are not absorbed properly. Tryptophan supplements may be useful in each condition, in carcinoid replacing the over-metabolized nutrient and in Hartnups supplementing a malabsorbed nutrient. Some disorders of excess tryptophan in the blood may contribute to mental retardation. Assessment of tryptophan deficiency is done through studying excretion of tryptophan metabolites in the urine or blood. Blood may be the most sensitive test because the amino acid tryptophan is transported in a unique way. Increased urination of tryptophan fragments correlates with increased tryptophan degradation, which occurs with oral contraception, depression, mental retardation, hypertension and anxiety states. The requirement for tryptophan and protein decreases with age. Adults minimum daily requirement is 3 mg/kg/day or about 200 mg a day. This may be an underestimation, for there are 400 mg of tryptophan in just a cup of wheat germ. A cup of low fat cottage cheese contains 300 mg of tryptophan and chicken and turkey contain up to 600 mg per pound. An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals. See also: Serotonin; tryptophan (component of); Chamomile; ginger; melatonin; thiamine; tryptophan (component of) ... View More ... Constituent of many plants. Enzymatic hydrolysis production of most plant and animal proteins. Dietary supplement, nutrient D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants COVID info from PDB, Protein Data Bank The L-enantiomer of tryptophan. Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Acquisition and generation of the data is financially supported in part by CREST/JST. [Raw Data] CBA09_Tryptophan_pos_30eV_1-1_01_662.txt [Raw Data] CBA09_Tryptophan_pos_20eV_1-1_01_661.txt [Raw Data] CBA09_Tryptophan_neg_30eV_1-1_01_716.txt [Raw Data] CBA09_Tryptophan_pos_10eV_1-1_01_660.txt [Raw Data] CBA09_Tryptophan_neg_10eV_1-1_01_714.txt [Raw Data] CBA09_Tryptophan_neg_40eV_1-1_01_717.txt [Raw Data] CBA09_Tryptophan_neg_20eV_1-1_01_715.txt [Raw Data] CBA09_Tryptophan_pos_50eV_1-1_01_664.txt [Raw Data] CBA09_Tryptophan_neg_50eV_1-1_01_718.txt [Raw Data] CBA09_Tryptophan_pos_40eV_1-1_01_663.txt IPB_RECORD: 253; CONFIDENCE confident structure KEIO_ID T003 DL-Tryptophan is an endogenous metabolite. L-Tryptophan (Tryptophan) is an essential amino acid that is the precursor of serotonin, melatonin, and vitamin B3[1]. L-Tryptophan (Tryptophan) is an essential amino acid that is the precursor of serotonin, melatonin, and vitamin B3[1].
Levamisole
C11H12N2S (204.07211519999998)
An antihelminthic drug that has been tried experimentally in rheumatic disorders where it apparently restores the immune response by increasing macrophage chemotaxis and T-lymphocyte function. Paradoxically, this immune enhancement appears to be beneficial in rheumatoid arthritis where dermatitis, leukopenia, and thrombocytopenia, and nausea and vomiting have been reported as side effects. (From Smith and Reynard, Textbook of Pharmacology, 1991, p435-6) P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CE - Imidazothiazole derivatives C308 - Immunotherapeutic Agent > C210 - Immunoadjuvant > C2141 - Chemo Immunostimulant Adjuvant D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials CONFIDENCE standard compound; EAWAG_UCHEM_ID 2857 CONFIDENCE standard compound; INTERNAL_ID 1172 D018501 - Antirheumatic Agents D007155 - Immunologic Factors C2140 - Adjuvant Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Levamisole ((-)-Levamisole), an anthelmintic agent with immunomodulatory properties. Levamisole acts as a positive allosteric modulator (PAM) for the α3β2 (EC50=300 μM) and α3β4 (EC50=100 μM) subtype of nAChRs. Orally active[1][2].
Nirvanol
Nirvanol is a metabolite of Mephenytoin. Nirvanol, also known as ethylphenylhydantoin, is a derivative of hydantoin with anticonvulsant properties. Its 5-ethyl-5-phenyl substitution pattern is similar to that of phenobarbital. It is useful in the treatment of chorea. (Wikipedia) D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Ethotoin
Ethotoin is a hydantoin derivative and anticonvulsant. Ethotoin exerts an antiepileptic effect without causing general central nervous system depression. The mechanism of action is probably very similar to that of phenytoin. The latter drug appears to stabilize rather than to raise the normal seizure threshold, and to prevent the spread of seizure activity rather than to abolish the primary focus of seizure discharges. D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AB - Hydantoin derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D049990 - Membrane Transport Modulators
Idazoxan
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
D-Tryptophan
Tryptophan (IUPAC-IUBMB abbreviation: Trp or W; IUPAC abbreviation: L-Trp or D-Trp; sold for medical use as Tryptan) is one of the 20 standard amino acids, as well as an essential amino acid in the human diet. It is encoded in the standard genetic code as the codon UGG. the D-stereoisomer is occasionally found in naturally produced peptides (for example, the marine venom peptide contryphan). The distinguishing structural characteristic of tryptophan is that it contains an indole functional group. It is an essential amino acid as defined by its growth effects on rats. [HMDB] Tryptophan (Trp or W) (sold for medical use as Tryptan) is one of the 20 standard amino acids. Its distinguishing structural characteristic is its indole functional group. The D-stereoisomer is occasionally found in naturally produced peptides (e.g. contryphan, the marine venom peptide). H-D-Trp-OH is a D-stereoisomer of tryptophan and occasionally found in naturally produced peptides such as the marine venom peptide. H-D-Trp-OH is a D-stereoisomer of tryptophan and occasionally found in naturally produced peptides such as the marine venom peptide.
(±)-Tryptophan
(±)-Tryptophan is a dietary supplement, nutrient.Tryptophan is one of the 20 standard amino acids, as well as an essential amino acid in the human diet. Only the L-stereoisomer of tryptophan is used in structural or enzyme proteins, but the D-stereoisomer is occasionally found in naturally produced peptides (for example, the marine venom peptide contryphan). (Wikipedia Dietary supplement, nutrient DL-Tryptophan is an endogenous metabolite.
Gamma-Glutamylglycine
C7H12N2O5 (204.07461819999997)
5-L-glutamylglycine is one of the dipeptides that is commonly produced from polypeptides by the action of the enzyme dipeptidyl peptidase. Dietary proteins are digested to dipeptides and amino acids, and the dipeptides are absorbed more rapidly than the amino acids, because their uptake involves a separate mechanism. Dipeptides activate G-cells found in the stomach to secrete gastrin. 5-L-glutamylglycine is an excitatory amino acid receptor antagonist with a structure similar to gamma-aminobutyric acid (GABA). (PMID: 6146532) [HMDB] gamma-Glutamylglycine is one of the dipeptides that is commonly produced from polypeptides by the action of the enzyme dipeptidyl peptidase. Dietary proteins are digested to dipeptides and amino acids, and the dipeptides are absorbed more rapidly than the amino acids because their uptake involves a separate mechanism. Dipeptides activate G-cells found in the stomach to secrete gastrin. gamma-Glutamylglycine is an excitatory amino acid receptor antagonist with a structure similar to gamma-aminobutyric acid (GABA) (PMID: 6146532). γ-Glu-Gly. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=1948-29-4 (retrieved 2024-07-01) (CAS RN: 1948-29-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). γ-Glu-Gly, a γ-glutamyl dipeptide, is a human lipid metabolite.γ-Glu-Gly has a similar structure to GABA (γ-aminobutyric acid) and can act as an antagonist of excitatory amino acids[1][2][3]. γ-Glu-Gly, a γ-glutamyl dipeptide, is a human lipid metabolite.γ-Glu-Gly has a similar structure to GABA (γ-aminobutyric acid) and can act as an antagonist of excitatory amino acids[1][2][3].
Anofinic acid
Anofinic acid is found in mushrooms. Anofinic acid is a metabolite of Lactarius deliciosus. Metabolite of Lactarius deliciosus. Anofinic acid is found in mushrooms.
Aspartyl-Alanine
C7H12N2O5 (204.07461819999997)
Aspartyl-Alanine is a dipeptide composed of aspartate and alanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Eupolauridine
Eupolauridine is an alkaloid from the bark of Cananga odorata (ylang ylang
L-beta-aspartyl-L-alanine
C7H12N2O5 (204.07461819999997)
L-beta-aspartyl-l-alanine is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha Amino Acids and Derivatives. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB]
3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one
3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one is found in crustaceans. 3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one is isolated from the eggs of brine shrimp (Artemia), sea urchin, cod and other fish. Isolated from the eggs of brine shrimp (Artemia), sea urchin, cod and other fish. 3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one is found in crustaceans and fishes.
Glutamylglycine
C7H12N2O5 (204.07461819999997)
Glutamylglycine is a dipeptide composed of glutamate and glycine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylglycine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
3-Hydroxymethylantipyrine
3-Hydroxymethylantipyrine is a metabolite of Antipyrine. 3-hydroxymethylantipyrine belongs to the family of Anilides. These are organic compounds derived from oxoacids RkE(=O)l(OH)m by replacing an OH group by the NHPh group or derivative formed by ring substitution.
Alanylaspartic acid
C7H12N2O5 (204.07461819999997)
Alanylaspartic acid is a dipeptide composed of alanine and aspartic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Glycyl-Glutamate
C7H12N2O5 (204.07461819999997)
Glycyl-Glutamate is a dipeptide composed of glycine and glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
7-Ethoxy-4-methyl-2H-1-benzopyran-2-one
7-Ethoxy-4-methyl-2H-1-benzopyran-2-one is used in nut food flavourin It is used in nut food flavouring
4-Hydroxyantipyrine
4-Hydroxyantipyrine, a major metabolite of the drug antipyrine. Antypyrene is an analgesic and antipyretic that has been given by mouth and as ear drops. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver (PMID: 6121894, 8735513). In man, 30–40\\% of an antipyrine dose is typically oxidized to 4-hydroxyantipyrine. In addition to its use for monitoring drug metabolism, 4-hydroxyantipyrine has also been used as a drug biodistribution promoter (PMID: 11767111). 4-Hydroxyantipyrine is only found in individuals who have taken or received the drug antipyrine.
S-nirvanol
S-nirvanol is a metabolite of mephenytoin. Mephenytoin (marketed as Mesantoin by Novartis) is a hydantoin, used as an anticonvulsant. It was introduced approximately 10 years after phenytoin, in the late 1940s. The significant metabolite of mephenytoin is nirvanol (5-ethyl-5-phenylhydantoin), which was the first hydantoin (briefly used as a hypnotic). However, nirvanol is quite toxic and mephenytoin was only considered after other less toxic anticonvulsants had failed. It can cause potentially fatal blood dyscrasia in 1\\% of patients. (Wikipedia)
6-Methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
6-Methyl-N-tetrazol-5-yl-2-pyridinecarboxamide
1-(4-Methyl-5-thiazolyl)-1-phenylmethylamine
C11H12N2S (204.07211519999998)
Alanyl-Aspartic acid
C7H12N2O5 (204.07461819999997)
Tryptophan
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS L-Tryptophan (Tryptophan) is an essential amino acid that is the precursor of serotonin, melatonin, and vitamin B3[1]. L-Tryptophan (Tryptophan) is an essential amino acid that is the precursor of serotonin, melatonin, and vitamin B3[1].
3,4-Dihydro-4-methoxy-2-naphthalenecarboxylic acid
(3Z,5E)-4-hydroxy-6-(4-hydroxyphenyl)hexa-3,5-dien-2-one
(Z)-3-(2-hydroxy-1-butylidene)phthalide|(Z)-3-(2-hydroxybutylidene)phthalide|3-(2-hydroxybutylidene)phthalide|senkyunolide E|senkyunolide-E
Cyclopenta(c)pyran-7-carboxaldehyde, 4-(ethoxymethyl)-
2,3-Dihydro-3-hydroxy-2-(1-methylethenyl)-5-benzofurancarbaldehyde
2-isopropenyl-2,3-dihydrobenzofuran-5-carboxylic acid
2-(4-Hydroxyphenyl)-6-methyl-2,3-dihydro-4H-pyran-4-one
3-Hydroxy-deca-4,5-dien-7,9-diin-carbonsaeure-(1)-methyl-ester|Nemotinsaeure-methylester
(3Z,10R)-10-Hydroxy-3,11-dodecadiene-6,8-diynoic acid
2H-1-Benzopyran-6-carboxaldehyde, 3,4-dihydro-2,2-dimethyl-4-oxo-
2,3-O-Isopropylidene-alpha-D-Furanose-Riburonic acid
5t-(4-hydroxy-phenyl)-penta-2t,4-dienoic acid methyl ester|5t-(4-Hydroxy-phenyl)-penta-2t,4-diensaeure-methylester|avenalumic acid methyl ester
6-hydroxy-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one|6-hydroxy-3,4-dihydro-1-oxo-beta-carboline
(+/-)-2-(hydroxymethyl)-2-methyl-2H-chromene-6-carbaldehyde|pteleifolin B
(+)-4-Hydroxy-dodeca-5,6-dien-8,10-diinsaeure|(+)-4-hydroxy-dodeca-5,6-diene-8,10-diynoic acid
(3E,5E)-8-(2-Thienyl)-3,5-octadien-7-yl-1-ol|(3E,5E)-8-(2-thienyl)-3,5-octadien-7-yn-1-ol|8-(2-Thienyl)-3t,5t-octadien-7-in-1-ol
Levamisole
C11H12N2S (204.07211519999998)
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CE - Imidazothiazole derivatives C308 - Immunotherapeutic Agent > C210 - Immunoadjuvant > C2141 - Chemo Immunostimulant Adjuvant D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018501 - Antirheumatic Agents D007155 - Immunologic Factors C2140 - Adjuvant Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS [Raw Data] CB142_Levamisole_pos_50eV_CB000052.txt [Raw Data] CB142_Levamisole_pos_40eV_CB000052.txt [Raw Data] CB142_Levamisole_pos_30eV_CB000052.txt [Raw Data] CB142_Levamisole_pos_20eV_CB000052.txt [Raw Data] CB142_Levamisole_pos_10eV_CB000052.txt Levamisole ((-)-Levamisole), an anthelmintic agent with immunomodulatory properties. Levamisole acts as a positive allosteric modulator (PAM) for the α3β2 (EC50=300 μM) and α3β4 (EC50=100 μM) subtype of nAChRs. Orally active[1][2].
Tryptophan
An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3. Annotation level-2 D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 57 COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 5 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2721; CONFIDENCE confident structure H-D-Trp-OH is a D-stereoisomer of tryptophan and occasionally found in naturally produced peptides such as the marine venom peptide. H-D-Trp-OH is a D-stereoisomer of tryptophan and occasionally found in naturally produced peptides such as the marine venom peptide. L-Tryptophan (Tryptophan) is an essential amino acid that is the precursor of serotonin, melatonin, and vitamin B3[1]. L-Tryptophan (Tryptophan) is an essential amino acid that is the precursor of serotonin, melatonin, and vitamin B3[1].
TETRAMISOLE
C11H12N2S (204.07211519999998)
C308 - Immunotherapeutic Agent > C210 - Immunoadjuvant > C2141 - Chemo Immunostimulant Adjuvant C2140 - Adjuvant
L-Tryptophan
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; QIVBCDIJIAJPQS-VIFPVBQESA-N_STSL_0010_L-Tryptophan_8000fmol_180410_S2_LC02_MS02_83; 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. CONFIDENCE standard compound; INTERNAL_ID 5 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.178 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.176 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.170 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.171 L-Tryptophan (Tryptophan) is an essential amino acid that is the precursor of serotonin, melatonin, and vitamin B3[1]. L-Tryptophan (Tryptophan) is an essential amino acid that is the precursor of serotonin, melatonin, and vitamin B3[1].
(3Z,5E)-4-hydroxy-6-(4-hydroxyphenyl)hexa-3,5-dien-2-one
Fenozolone
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
D-tryptophan
The D-enantiomer of tryptophan. H-D-Trp-OH is a D-stereoisomer of tryptophan and occasionally found in naturally produced peptides such as the marine venom peptide. H-D-Trp-OH is a D-stereoisomer of tryptophan and occasionally found in naturally produced peptides such as the marine venom peptide.
(3Z,5E)-4-hydroxy-6-(4-hydroxyphenyl)hexa-3,5-dien-2-one_major
γ-D-Glutamylglycine
C7H12N2O5 (204.07461819999997)
gamma-DGG is a competitive AMPA receptor blocker.
3-hydroxymethylantipyrine
A pyrazolone that is antipyrine in which one of the hydrogens of the 5-methyl group is substituted by a hydroxymethyl group. It is a metabolite of the analgesic drug, antipyrene.
Ala-asp
C7H12N2O5 (204.07461819999997)
A dipeptide formed from L-alanyl and L-aspartic acid residues.
Asp-ala
C7H12N2O5 (204.07461819999997)
A dipeptide formed from L-alpha-aspartyl and L-valine residues.
3,4-dimethoxyphenylhydrazine hydrochloride
C8H13ClN2O2 (204.06655080000002)
C-[3-(2-METHOXY-PHENYL)-ISOXAZOL-5-YL]-METHYLAMINE
C-(2-M-TOLYL-THIAZOL-4-YL)-METHYLAMINE
C11H12N2S (204.07211519999998)
C-(2-P-TOLYL-THIAZOL-4-YL)-METHYLAMINE
C11H12N2S (204.07211519999998)
2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
C11H12N2S (204.07211519999998)
3-AMINOMETHYL-1H-INDOLE-5-CARBOXYLIC ACID METHYL ESTER
1-(4-Trifluoromethylphenyl)-1-propanol
C10H11F3O (204.07619519999997)
(2E,4E,6E,8E)-9-(4-METHOXY-2,3,6-TRIMETHYL-PHENYL)-3,7-DIMETHYL-NONA-2,4,6,8-TETRAENOICACIDBUTYLESTER
4-(2,4-DIMETHYLPHENYL)THIAZOL-2-YLAMINE
C11H12N2S (204.07211519999998)
4-Piperidinecarboxamide, 1-(chloroacetyl)- (9CI)
C8H13ClN2O2 (204.06655080000002)
3-Fluoro-4-(3-pyridinyloxy)aniline
C11H9FN2O (204.06988759999996)
dexamisole
C11H12N2S (204.07211519999998)
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
2-(6-(Trifluoromethyl)pyridin-2-yl)propan-2-amine
C9H11F3N2 (204.08742819999998)
(5-OXO-1-PYRIDIN-2-YL-2,5-DIHYDRO-1H-PYRAZOL-3-YL)ACETICACID
1-(4-Amino-3-fluorophenyl)pyridin-2(1H)-one
C11H9FN2O (204.06988759999996)
4-(4-ETHYL-PHENYL)-THIAZOL-2-YLAMINE
C11H12N2S (204.07211519999998)
5-Methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
C11H12N2S (204.07211519999998)
5-Ethyl-4-phenyl-1,3-thiazol-2-amine
C11H12N2S (204.07211519999998)
2-Methyl-imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester
2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-1-oxo-, methyl ester
1-(2-Fluoroethyl)piperazine dihydrochloride
C6H15Cl2FN2 (204.05962619999997)
[2-(3-Fluoro-phenyl)-pyrimidin-5-yl]-methanol
C11H9FN2O (204.06988759999996)
3-Amino-5-methyl-1H-indole-2-carboxylic acid methyl ester
4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID HYDRAZIDE
[2-(4-Fluoro-phenyl)-pyrimidin-5-yl]-methanol
C11H9FN2O (204.06988759999996)
n(alpha)-ethoxycarbonyl-l-asparagine
C7H12N2O5 (204.07461819999997)
1-[3-(Trifluormethyl)phenyl]propan-1-ol
C10H11F3O (204.07619519999997)
N-methyl-(5-pyrid-3-ylthien-2-yl)methylamine
C11H12N2S (204.07211519999998)
Ethyl 1-methyl-5-(difluoromethyl)-1H-pyrazole-4-carboxylate
1-[2-(trifluoromethyl)phenyl]propan-1-ol
C10H11F3O (204.07619519999997)
1-Methyl-1H-benzimidazole-5-carboxylic acid ethyl ester
Ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
9,10-dimethyl-2,6-diazabicyclo[5.4.0]undeca-8,10,12-triene-3,5-dione
7-THIOPHEN-2-YL-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID
C11H9FN2O (204.06988759999996)
methyl 5-oxo-7,8-dihydro-6H-naphthalene-2-carboxylate
Pyrazolo[1,5-a]pyridine-3-carboxylic acid, 2-Methyl-, ethyl ester
1-Methyl-1H-benzimidazole-6-carboxylic acid ethyl ester
3-(3-Trifluoromethylphenyl)propanol
C10H11F3O (204.07619519999997)
3-fluoro-5-(pyridin-3-yloxy)aniline
C11H9FN2O (204.06988759999996)
3-FLUORO-4-(4-METHYL-1H-IMIDAZOL-1-YL)BENZALDEHYDE
C11H9FN2O (204.06988759999996)
Methyl 1,2-dimethyl-1H-benzo[d]imidazole-5-carboxylate
METHYL(2-METHYL-1H-PYRROLO[2,3-B]PYRIDINE 3-YL)ACETATE
2-(3,4-DIHYDRO-2H-QUINOLIN-1-YL)-ETHYLAMINE DIHYDROCHLORIDE
C11H12N2S (204.07211519999998)
4-(3,4-dimethyl-phenyl)-thiazol-2-ylamine
C11H12N2S (204.07211519999998)
ETHYL 3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
3-amino-2-(2-fluorophenoxy)pyridine
C11H9FN2O (204.06988759999996)
(R,S)-A-AMINO-3-HYDROXY-4-METHYL-5-ISOXAZOLEPROPIONIC ACID, MONOHYDRATE
C7H12N2O5 (204.07461819999997)
3-[4-(Trifluoromethyl)phenyl]-1-propanol
C10H11F3O (204.07619519999997)
4-(2,5-dimethyl-phenyl)-thiazol-2-ylamine
C11H12N2S (204.07211519999998)
3-(3,5-DIMETHYL-1H-PYRAZOL-4-YL)PROPANOIC ACID
C8H13ClN2O2 (204.06655080000002)
(4-(5-METHYL-1,3,4-OXADIAZOL-2-YL)PHENYL)BORONIC ACID
N-methyl-1-(2-phenyl-1,3-thiazol-4-yl)methanamine
C11H12N2S (204.07211519999998)
6-METHOXY-1-OXO-1,2,3,4-TETRAHYDRO-[2]-NAPHTHALDEHYDE
Piperazinone, 4-(chloroacetyl)-3,3-dimethyl- (9CI)
C8H13ClN2O2 (204.06655080000002)
1H-Pyrazole-4-carboxylicacid,5-amino-1-(2-pyridinyl)-(9CI)
3-(2-hydroxyethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
C-(2-BENZYL-THIAZOL-4-YL)-METHYLAMINE
C11H12N2S (204.07211519999998)
3-AMINOMETHYL-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER
Benzoic acid, 3-(5-methyl-1H-tetrazol-1-yl)- (9CI)
1-(2,3-DIHYDRO-1H-INDEN-5-YLMETHYL)HYDRAZINE
C11H12N2S (204.07211519999998)
N-METHYL-4-(1,3-THIAZOL-2-YL)BENZYLAMINE
C11H12N2S (204.07211519999998)
2-(2-phenyl-1,3-thiazol-5-yl)ethanamine
C11H12N2S (204.07211519999998)
7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
C11H9FN2O (204.06988759999996)
ethyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
1H-Pyrrolo[2,3-b]pyridine-3-propionic acid, 2-methyl- (8CI)
1H-1,2,4-Triazole-3-carboxylicacid,5-amino-1-phenyl-(9CI)
6-(4-fluorophenoxy)pyridin-3-amine
C11H9FN2O (204.06988759999996)
Pyrido[2,3-d]pyrimidine-6-carboxaldehyde, 2-amino-4,8-dihydro-8-methyl-4-oxo- (9CI)
3-fluoro-6-phenylmethoxypyridazine
C11H9FN2O (204.06988759999996)
3-methyl-5-methylamino-3H-imidazole-4-carboxylic acid methylamide, hydrochloride
METHYL 8-OXO-5,6,7,8-TETRAHYDRONAPHTHALENE-2-CARBOXYLATE
(5-pyridin-4-yl-4H-1,2,4-triazol-3-yl)acetic acid(SALTDATA: H2O)
1-(4-fluorophenyl)-2-imidazol-1-ylethanone
C11H9FN2O (204.06988759999996)
3-Trifluoromethyl-5,6,7,8-tetrahydro-pyrido[4,3-e][1,2,4]triazine
1H-1,2,3-Triazole-4-carboxylicacid,5-(phenylamino)-(9CI)
Ethyl 7-methylpyrazolo[1,5-a]pyridine-3-carboxylate
1-(4-[(2,4-DICHLOROBENZYL)OXY]PHENYL)-1-ETHANOL
C8H13ClN2O2 (204.06655080000002)
N~1~,N~1~-dimethyl-2-(trifluoromethyl)-1,4-benzenediamine(SALTDATA: 2HCl)
C9H11F3N2 (204.08742819999998)
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 4,6-dimethyl-, Methyl ester
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 1-Methyl-, ethyl ester
4-OXO-3,4-DIHYDRO-QUINAZOLINE-2-CARBOXYLIC ACID HYDRAZIDE
3-amino-2-(4-fluorophenoxy)pyridine
C11H9FN2O (204.06988759999996)
3(2H)-Pyridazinone,4,5-dihydro-5-(hydroxymethyl)-6-phenyl-
1-N,1-N-dimethyl-4-(trifluoromethyl)benzene-1,2-diamine
C9H11F3N2 (204.08742819999998)
N-((6-(TRIFLUOROMETHYL)PYRIDIN-2-YL)METHYL)ETHANAMINE
C9H11F3N2 (204.08742819999998)
1-(3-(TRIFLUOROMETHYL)PHENYL)PROPAN-2-OL
C10H11F3O (204.07619519999997)
1,3,4,5-Tetrahydrothiopyrano[4,3-b]indol-8-amine
C11H12N2S (204.07211519999998)
4,5-Dihydro-6-(4-methoxyphenyl)pyridazin-3(2H)-one
ethyl 5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
8-Fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one
C11H9FN2O (204.06988759999996)
1H-Imidazole-4-carboxylicacid,5-amino-1-(2-pyridinyl)-(9CI)
2-(ALLYLSULFANYL)-4,6-DIMETHYLNICOTINONITRILE
C11H12N2S (204.07211519999998)
1-(4-FLUOROPHENYL)-3,4-DIPHENYL-5-METHYLTHIO-1H-PYRAZOLE
C11H9FN2O (204.06988759999996)
5-AMINO-1-PHENYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
5-METHYL-PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
4-(3,5-DIMETHYLPHENYL)THIAZOL-2-YLAMINE
C11H12N2S (204.07211519999998)
(1S)-2-Phenyl-1-(1,3-thiazol-2-yl)ethanamine
C11H12N2S (204.07211519999998)
Ethanol, 2-(2,4-diaMinophenoxy)-, hydrochloride
C8H13ClN2O2 (204.06655080000002)
Methyl 4-deoxy-alpha-L-threo-hex-4-enopyranosiduronic acid methyl ester
1,2,3,4,5,6-Benzenehexamine, hydrochloride
C6H13ClN6 (204.08901680000002)
1-Ethyl ester Methyl-3-MethyliMidazoliuM chloride
C8H13N2O2.Cl (204.06655080000002)
(R)-(-)-N-[1-(1-NAPHTHYL)ETHYL]-3,5-DINITROBENZAMIDE
(R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHYLAMINEHCL
(3-(5-METHYL-1,2,4-OXADIAZOL-3-YL)PHENYL)BORONIC ACID
2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
1-(2-TRIMETHYLSILOXYETHOXY)-1-TRIMETHYLSILOXY-2-METHYLPROPENE
C9H11F3N2 (204.08742819999998)
Methyl-(4-phenyl-thiazol-2-ylmethyl)-amine
C11H12N2S (204.07211519999998)
N-METHYL-N-[[5-(PYRIDIN-3-YLOXY)-2-FURYL]METHYL]AMINE
4-(TRIFLUOROMETHYL)PHENYL DIMETHYL CARBINOL
C10H11F3O (204.07619519999997)
(4-METHYL-1-NAPHTHALENE)BORONICACID
C11H12N2S (204.07211519999998)
(3-(5-Methyl-1,3,4-oxadiazol-2-yl)phenyl)boronic acid
3-FLUORO-4-(1H-IMIDAZOL-1-YL)ACETOPHENONE
C11H9FN2O (204.06988759999996)
3-FLUORO-4-(1H-PYRAZOL-1-YL)ACETOPHENONE
C11H9FN2O (204.06988759999996)
3-(1H-tetrazol-1-yl)benzohydrazide(SALTDATA: FREE)
2-(6-(Trifluoromethyl)pyridin-3-yl)propan-2-amine
C9H11F3N2 (204.08742819999998)
Pyridoxamine hydrochloride
C8H13ClN2O2 (204.06655080000002)
A hydrochloride obtained by combining pyridoxamine with one molar equivalent of hydrochloric acid. Used for treatment of diabetic nephropathy.
9-Thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane 9,9-dioxide
N-methyl-(5-pyrid-4-ylthien-2-yl)methylamine
C11H12N2S (204.07211519999998)
(2r)-2-(Aminomethyl)-2,4-Dihydroxy-5-Oxo-3-(2-Oxoethyl)-2,5-Dihydro-1h-Imidazol-3-Ium
C6H10N3O5+ (204.06204300000002)
3-(Indol-3-yl)lactate
A 2-hydroxy carboxylate that is the conjugate base of 3-(indol-3-yl)lactic acid.
(4R,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one
(2S)-4-hydroxy-2-[[(3R)-3-hydroxybutanoyl]amino]butanoate
(2R)-2-[[(2S)-2-aminopropanoyl]amino]butanedioic acid
C7H12N2O5 (204.07461819999997)
gamma-D-Glutamylglycine
C7H12N2O5 (204.07461819999997)
gamma-DGG is a competitive AMPA receptor blocker.
(2S)-2-(2-acetylhydrazinyl)pentanedioic acid
C7H12N2O5 (204.07461819999997)
3-[(2S)-2-amino-2-carboxyethyl]-1H-indol-1-ium-1-yl
3-[(2R)-2-amino-2-carboxyethyl]-1H-indol-1-ium-1-yl
4-(3-Fluorophenyl)-6-methoxypyrimidine
C11H9FN2O (204.06988759999996)
1,1a,7,7a-Tetrahydro-1a,7a-dimethylbenzo[b]cyclopropa[e]thiopyran-7-one
ethotoin
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AB - Hydantoin derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D049990 - Membrane Transport Modulators
IDAZOXAN
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
D-tryptophan zwitterion
Zwitterionic form of D-tryptophan having an anionic carboxy group and a protonated alpha-amino group; major species at pH 7.3.
Gly-glu
C7H12N2O5 (204.07461819999997)
A dipeptide formed from glycyl and L-glutamic acid residues.
Nirvanol
D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Eupolauridine
A natural product found particularly in Cananga odorata and Eupomatia laurina.
Glu-gly
C7H12N2O5 (204.07461819999997)
A dipeptide composed of L-glutamic acid and glycine joined by a peptide linkage.
5-L-Glutamylglycine
C7H12N2O5 (204.07461819999997)
γ-Glu-Gly, a γ-glutamyl dipeptide, is a human lipid metabolite.γ-Glu-Gly has a similar structure to GABA (γ-aminobutyric acid) and can act as an antagonist of excitatory amino acids[1][2][3]. γ-Glu-Gly, a γ-glutamyl dipeptide, is a human lipid metabolite.γ-Glu-Gly has a similar structure to GABA (γ-aminobutyric acid) and can act as an antagonist of excitatory amino acids[1][2][3].
gamma-Glu-Gly
C7H12N2O5 (204.07461819999997)
A glutamyl-L-amino acid obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of glycine.
N-cinnamoylglycinate
A monocarboxylic acid anion that is the conjugate base of N-cinnamoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(2s)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylic acid
(4s)-4-methoxy-3,4-dihydronaphthalene-2-carboxylic acid
(2e)-3-(7-methoxy-1-benzofuran-5-yl)prop-2-en-1-ol
(2r)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylic acid
(3z)-3-[(2r)-2-hydroxybutylidene]-2-benzofuran-1-one
2,6-dimethyl-1-oxo-2,3-dihydroindene-4-carboxylic acid
(4s)-4-amino-4-(carboxymethyl-c-hydroxycarbonimidoyl)butanoic acid
C7H12N2O5 (204.07461819999997)
(2s)-2-amino-4-(carboxymethyl-c-hydroxycarbonimidoyl)butanoic acid
C7H12N2O5 (204.07461819999997)
3-butylidene-1(3h)-isobenzofuranone,9ci; (z)-form,5-hydroxy
{"Ingredient_id": "HBIN008356","Ingredient_name": "3-butylidene-1(3h)-isobenzofuranone,9ci; (z)-form,5-hydroxy","Alias": "NA","Ingredient_formula": "C12H12O3","Ingredient_Smile": "NA","Ingredient_weight": "204.22","OB_score": "NA","CAS_id": "91652-78-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8168","PubChem_id": "NA","DrugBank_id": "NA"}
3-butylidene-1(3h)-isobenzofuranone,9ci; (z)-form,9-hydroxy
{"Ingredient_id": "HBIN008358","Ingredient_name": "3-butylidene-1(3h)-isobenzofuranone,9ci; (z)-form,9-hydroxy","Alias": "NA","Ingredient_formula": "C12H12O3","Ingredient_Smile": "NA","Ingredient_weight": "204.22","OB_score": "NA","CAS_id": "94530-83-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8166","PubChem_id": "NA","DrugBank_id": "NA"}
3-butylidene-7-hydroxyphalide
{"Ingredient_id": "HBIN008359","Ingredient_name": "3-butylidene-7-hydroxyphalide","Alias": "NA","Ingredient_formula": "C12H12O3","Ingredient_Smile": "CCCC=C1C2=C(C(=CC=C2)O)C(=O)O1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14534","TCMID_id": "2796","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3E)-3-butylidene-7-hydroxy-2-benzofuran-1-one
{"Ingredient_id": "HBIN008448","Ingredient_name": "(3E)-3-butylidene-7-hydroxy-2-benzofuran-1-one","Alias": "(3E)-3-butylidene-7-hydroxy-1-isobenzofuranone; (3E)-3-butylidene-7-hydroxy-isobenzofuran-1-one","Ingredient_formula": "C12H12O3","Ingredient_Smile": "NA","Ingredient_weight": "204.22","OB_score": "42.17353449","CAS_id": "103659-69-4","SymMap_id": "SMIT09597","TCMID_id": "NA","TCMSP_id": "MOL008287","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-(2-thienyl)-3,5-octadien-7-yn-1-ol
{"Ingredient_id": "HBIN013563","Ingredient_name": "8-(2-thienyl)-3,5-octadien-7-yn-1-ol","Alias": "NA","Ingredient_formula": "C12H12OS","Ingredient_Smile": "NA","Ingredient_weight": "204.29","OB_score": "NA","CAS_id": "55309-63-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7414","PubChem_id": "NA","DrugBank_id": "NA"}
(1r)-1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde
4-methoxy-3,4-dihydronaphthalene-2-carboxylic acid
(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}butanedioic acid
C7H12N2O5 (204.07461819999997)
(5r,6s)-3,5,6-trihydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one
(1r,8as)-7-hydroxy-1,8a-dimethyl-1h-naphthalene-2,6-dione
(1r,10s,11r)-11-methyl-12,13-dioxatricyclo[8.2.1.0²,⁷]trideca-2,4,6,8-tetraen-3-ol
11-methyl-12,13-dioxatricyclo[8.2.1.0²,⁷]trideca-2,4,6,8-tetraen-3-ol
2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylic acid
(2s,3r)-3-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carbaldehyde
(2z,8z)-10-hydroxydeca-2,8-dien-4,6-diyn-1-yl acetate
3'-methyl-1h-spiro[2-benzoxepine-3,2'-oxiran]-9-ol
3-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carbaldehyde
(2e,4e)-5-[2-(hydroxymethyl)phenyl]penta-2,4-dienoic acid
2,4-dihydroxy-6-[(1e,3e)-penta-1,3-dien-1-yl]benzaldehyde
1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde
2-(4-hydroxyphenyl)-6-methyl-2,3-dihydropyran-4-one
2-(hydroxymethyl)-3-(3-methylbut-3-en-1-yn-1-yl)benzene-1,4-diol
(2e,8z)-10-hydroxydeca-2,8-dien-4,6-diyn-1-yl acetate
(2s)-2-(4-hydroxyphenyl)-6-methyl-2,3-dihydropyran-4-one
(1r,10s,11s)-11-methyl-12,13-dioxatricyclo[8.2.1.0²,⁷]trideca-2,4,6,8-tetraen-3-ol
3,4,5-trihydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one
2-(2-hydroxypropan-2-yl)-1-benzofuran-5-carbaldehyde
(3ar,4r,5s,6s,6as)-4-(hydroxymethyl)-2-imino-tetrahydro-3h-cyclopenta[d][1,3]oxazole-4,5,6-triol
C7H12N2O5 (204.07461819999997)
