Exact Mass: 204.0880608

Exact Mass Matches: 204.0880608

Found 356 metabolites which its exact mass value is equals to given mass value 204.0880608, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

L-Tryptophan

L-Tryptophan, from non-animal source, meets EP, JP, USP testing specifications, suitable for cell culture, 99.0-101.0\\%

C11H12N2O2 (204.0898732)


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].

   

Nirvanol

2,4-Imidazolidinedione,5-ethyl-5-phenyl-

C11H12N2O2 (204.0898732)


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

3-Ethyl-5-phenyl-imidazolidine-2,4-dione

C11H12N2O2 (204.0898732)


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

   

3-Butylidene-7-hydroxyphthalide

3-butylidene-7-hydroxy-2-benzofuran-1-one

C12H12O3 (204.0786402)


   

Vasicinol

Pyrrolo(2,1-b)quinazoline-3,7-diol, 1,2,3,9-tetrahydro-, (R)-

C11H12N2O2 (204.0898732)


   

Idazoxan

2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole

C11H12N2O2 (204.0898732)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists

   

8-Methylthio-2-octanoic acid

2-oxo-8-methylthiooctanoic acid

C9H16O3S (204.08201060000002)


   

Dihydroaceanthrylene

1,2-Dihydroaceanthrylene

C16H12 (204.0938952)


   

D-Tryptophan

(2R)-2-Amino-3-(1H-indol-3-yl)propanoic acid

C11H12N2O2 (204.0898732)


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

alpha-Amino-beta-(3-indolyl)-propionic acid

C11H12N2O2 (204.0898732)


(±)-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.

   

Thozalinone

Thozalinone

C11H12N2O2 (204.0898732)


C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant

   
   

Anofinic acid

2,2-Dimethyl-2H-1-benzopyran-6-carboxylic acid

C12H12O3 (204.0786402)


Anofinic acid is found in mushrooms. Anofinic acid is a metabolite of Lactarius deliciosus. Metabolite of Lactarius deliciosus. Anofinic acid is found in mushrooms.

   

3-Hydroxymethylantipyrine

5-(hydroxymethyl)-1-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

C11H12N2O2 (204.0898732)


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.

   

7-Ethoxy-4-methyl-2H-1-benzopyran-2-one

7-Ethoxy-4-methyl-2H-1-benzopyran-2-one

C12H12O3 (204.0786402)


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-hydroxy-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

C11H12N2O2 (204.0898732)


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

(4S)-4-ethyl-4-phenyl-4H-imidazole-2,5-diol

C11H12N2O2 (204.0898732)


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)

   

3h-Indole-3-propanoic acid,a-amino-

2-amino-3-(3H-indol-3-yl)propanoic acid

C11H12N2O2 (204.0898732)


   

7-Propoxy-chromen-2-one

7-propoxy-2H-chromen-2-one

C12H12O3 (204.0786402)


   

Tryptophan

L-Tryptophan

C11H12N2O2 (204.0898732)


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].

   
   
   

1,6-Dihydroxy-1,2,3,4-tetrahydro-beta-carboline

1,6-Dihydroxy-1,2,3,4-tetrahydro-beta-carboline

C11H12N2O2 (204.0898732)


   
   

3,4-Dihydro-4-methoxy-2-naphthalenecarboxylic acid

3,4-Dihydro-4-methoxy-2-naphthalenecarboxylic acid

C12H12O3 (204.0786402)


   
   

(3Z,5E)-4-hydroxy-6-(4-hydroxyphenyl)hexa-3,5-dien-2-one

(3Z,5E)-4-hydroxy-6-(4-hydroxyphenyl)hexa-3,5-dien-2-one

C12H12O3 (204.0786402)


   

(Z)-3-(2-hydroxy-1-butylidene)phthalide|(Z)-3-(2-hydroxybutylidene)phthalide|3-(2-hydroxybutylidene)phthalide|senkyunolide E|senkyunolide-E

(Z)-3-(2-hydroxy-1-butylidene)phthalide|(Z)-3-(2-hydroxybutylidene)phthalide|3-(2-hydroxybutylidene)phthalide|senkyunolide E|senkyunolide-E

C12H12O3 (204.0786402)


   

2,5-dimethyl-7-methoxychromone

2,5-dimethyl-7-methoxychromone

C12H12O3 (204.0786402)


   

Cyclopenta(c)pyran-7-carboxaldehyde, 4-(ethoxymethyl)-

Cyclopenta(c)pyran-7-carboxaldehyde, 4-(ethoxymethyl)-

C12H12O3 (204.0786402)


   

2-PHENYLNAPHTHALENE

2-PHENYLNAPHTHALENE

C16H12 (204.0938952)


   

2,3-Dihydro-3-hydroxy-2-(1-methylethenyl)-5-benzofurancarbaldehyde

2,3-Dihydro-3-hydroxy-2-(1-methylethenyl)-5-benzofurancarbaldehyde

C12H12O3 (204.0786402)


   

2-isopropenyl-2,3-dihydrobenzofuran-5-carboxylic acid

2-isopropenyl-2,3-dihydrobenzofuran-5-carboxylic acid

C12H12O3 (204.0786402)


   

2-(4-Hydroxyphenyl)-6-methyl-2,3-dihydro-4H-pyran-4-one

2-(4-Hydroxyphenyl)-6-methyl-2,3-dihydro-4H-pyran-4-one

C12H12O3 (204.0786402)


   

1,2,3,4-Tetrahydro-beta-carboline-1,6-diol

1,2,3,4-Tetrahydro-beta-carboline-1,6-diol

C11H12N2O2 (204.0898732)


   

7-formyl-3-methoxy-5-methylindanone

7-formyl-3-methoxy-5-methylindanone

C12H12O3 (204.0786402)


   

3-Hydroxy-deca-4,5-dien-7,9-diin-carbonsaeure-(1)-methyl-ester|Nemotinsaeure-methylester

3-Hydroxy-deca-4,5-dien-7,9-diin-carbonsaeure-(1)-methyl-ester|Nemotinsaeure-methylester

C12H12O3 (204.0786402)


   

4,8-Dimethoxy-1-naphthol

4,8-Dimethoxy-1-naphthol

C12H12O3 (204.0786402)


   

3-(acetoxymethyl)-6-methylbenzofuran

3-(acetoxymethyl)-6-methylbenzofuran

C12H12O3 (204.0786402)


   

3-butylidene-4-hydroxyphthalide

3-butylidene-4-hydroxyphthalide

C12H12O3 (204.0786402)


   

(3Z,10R)-10-Hydroxy-3,11-dodecadiene-6,8-diynoic acid

(3Z,10R)-10-Hydroxy-3,11-dodecadiene-6,8-diynoic acid

C12H12O3 (204.0786402)


   

2H-1-Benzopyran-6-carboxaldehyde, 3,4-dihydro-2,2-dimethyl-4-oxo-

2H-1-Benzopyran-6-carboxaldehyde, 3,4-dihydro-2,2-dimethyl-4-oxo-

C12H12O3 (204.0786402)


   

6,6-dimethyl-[1,3]dioxolo[4,5-g]chromene

6,6-dimethyl-[1,3]dioxolo[4,5-g]chromene

C12H12O3 (204.0786402)


   
   

2,8-decadiene-4,6-diyne-1,10-diol-Ac

2,8-decadiene-4,6-diyne-1,10-diol-Ac

C12H12O3 (204.0786402)


   

5t-(4-hydroxy-phenyl)-penta-2t,4-dienoic acid methyl ester|5t-(4-Hydroxy-phenyl)-penta-2t,4-diensaeure-methylester|avenalumic acid methyl ester

5t-(4-hydroxy-phenyl)-penta-2t,4-dienoic acid methyl ester|5t-(4-Hydroxy-phenyl)-penta-2t,4-diensaeure-methylester|avenalumic acid methyl ester

C12H12O3 (204.0786402)


   
   

7-methoxywutaifuranol

7-methoxywutaifuranol

C12H12O3 (204.0786402)


   

botryosphaeridione

botryosphaeridione

C12H12O3 (204.0786402)


   
   

6-hydroxy-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one|6-hydroxy-3,4-dihydro-1-oxo-beta-carboline

6-hydroxy-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one|6-hydroxy-3,4-dihydro-1-oxo-beta-carboline

C11H12N2O2 (204.0898732)


   

(+/-)-2-(hydroxymethyl)-2-methyl-2H-chromene-6-carbaldehyde|pteleifolin B

(+/-)-2-(hydroxymethyl)-2-methyl-2H-chromene-6-carbaldehyde|pteleifolin B

C12H12O3 (204.0786402)


   
   

1,8-dimethoxynaphthalen-2-ol

1,8-dimethoxynaphthalen-2-ol

C12H12O3 (204.0786402)


   

3-benzylpiperazine-2,5-dione

3-benzylpiperazine-2,5-dione

C11H12N2O2 (204.0898732)


   

(+)-4-Hydroxy-dodeca-5,6-dien-8,10-diinsaeure|(+)-4-hydroxy-dodeca-5,6-diene-8,10-diynoic acid

(+)-4-Hydroxy-dodeca-5,6-dien-8,10-diinsaeure|(+)-4-hydroxy-dodeca-5,6-diene-8,10-diynoic acid

C12H12O3 (204.0786402)


   

4,6-Dimethoxy-5-vinylbenzofuran

4,6-Dimethoxy-5-vinylbenzofuran

C12H12O3 (204.0786402)


   

Anofinic acid

2,2-dimethyl-2H-chromene-6-carboxylic acid

C12H12O3 (204.0786402)


   

3,5-Dimethyl-4-methoxycoumarin

3,5-Dimethyl-4-methoxycoumarin

C12H12O3 (204.0786402)


   

3-butylidene-5-hydroxy-2-benzofuran-1-one

3-butylidene-5-hydroxy-2-benzofuran-1-one

C12H12O3 (204.0786402)


   

1-hydroxy-4,5-dimethoxynaphthalene

1-hydroxy-4,5-dimethoxynaphthalene

C12H12O3 (204.0786402)


   

2-(2-hydroxypropan-2-yl)benzofuran-5-carbaldehyde

2-(2-hydroxypropan-2-yl)benzofuran-5-carbaldehyde

C12H12O3 (204.0786402)


   
   
   

6-Methyl-1-methoxy-2,8-naphthalenediol

6-Methyl-1-methoxy-2,8-naphthalenediol

C12H12O3 (204.0786402)


   

4-oxo-3-(phenylmethylene)pentanoic acid

4-oxo-3-(phenylmethylene)pentanoic acid

C12H12O3 (204.0786402)


   

Tryptophan

L-Tryptophan

C11H12N2O2 (204.0898732)


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].

   

L-Tryptophan

L-Tryptophane

C11H12N2O2 (204.0898732)


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

NCGC00169588-02!(3Z,5E)-4-hydroxy-6-(4-hydroxyphenyl)hexa-3,5-dien-2-one

C12H12O3 (204.0786402)


   

Fenozolone

2-(ethylamino)-5-phenyl-1,3-oxazol-4-one

C11H12N2O2 (204.0898732)


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

D-tryptophan

C11H12N2O2 (204.0898732)


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.

   

Tryptophan (Not validated)

Tryptophan (Not validated)

C11H12N2O2 (204.0898732)


Annotation level-3

   

Tryptophan; LC-tDDA; CE10

Tryptophan; LC-tDDA; CE10

C11H12N2O2 (204.0898732)


   

Tryptophan; LC-tDDA; CE20

Tryptophan; LC-tDDA; CE20

C11H12N2O2 (204.0898732)


   

Tryptophan; LC-tDDA; CE30

Tryptophan; LC-tDDA; CE30

C11H12N2O2 (204.0898732)


   

Tryptophan; LC-tDDA; CE40

Tryptophan; LC-tDDA; CE40

C11H12N2O2 (204.0898732)


   

IS_TRYPTOPHAN-2,4,5,6,7-D5

IS_TRYPTOPHAN-2,4,5,6,7-D5

C11H12N2O2 (204.0898732)


   

(3Z,5E)-4-hydroxy-6-(4-hydroxyphenyl)hexa-3,5-dien-2-one_major

(3Z,5E)-4-hydroxy-6-(4-hydroxyphenyl)hexa-3,5-dien-2-one_major

C12H12O3 (204.0786402)


   

LEVULINIC ACID, 3-BENZYLIDENYL-

LEVULINIC ACID, 3-BENZYLIDENYL-

C12H12O3 (204.0786402)


   

3-hydroxymethylantipyrine

5-(hydroxymethyl)-1-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

C11H12N2O2 (204.0898732)


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.

   

Maraniol

7-Ethoxy-4-methyl-2H-1-benzopyran-2-one

C12H12O3 (204.0786402)


   

Odyssic acid

4-hydroxy-5,6-dodecadiene-8,10-diynoic acid

C12H12O3 (204.0786402)


   

7-hydroxy-4-propan-2-ylchromen-2-one

7-hydroxy-4-propan-2-ylchromen-2-one

C12H12O3 (204.0786402)


   

Cyclo(-gly-phe)

(S)-3-Benzylpiperazine-2,5-dione

C11H12N2O2 (204.0898732)


   

{4-[(Trimethylsilyl)ethynyl]phenyl}methanol

{4-[(Trimethylsilyl)ethynyl]phenyl}methanol

C12H16OSi (204.09703659999997)


   

Naphthalene, 2-phenyl-

Naphthalene, 2-phenyl-

C16H12 (204.0938952)


   

ETHYL 6-AMINO-1H-INDOLE-5-CARBOXYLATE

ETHYL 6-AMINO-1H-INDOLE-5-CARBOXYLATE

C11H12N2O2 (204.0898732)


   

C-[3-(2-METHOXY-PHENYL)-ISOXAZOL-5-YL]-METHYLAMINE

C-[3-(2-METHOXY-PHENYL)-ISOXAZOL-5-YL]-METHYLAMINE

C11H12N2O2 (204.0898732)


   

7-Hydroxy-4-propyl-2H-chromen-2-one

7-Hydroxy-4-propyl-2H-chromen-2-one

C12H12O3 (204.0786402)


   

3-AMINOMETHYL-1H-INDOLE-5-CARBOXYLIC ACID METHYL ESTER

3-AMINOMETHYL-1H-INDOLE-5-CARBOXYLIC ACID METHYL ESTER

C11H12N2O2 (204.0898732)


   

3-(2,5-DIMETHOXYPHENYL)-1H-PYRAZOLE

3-(2,5-DIMETHOXYPHENYL)-1H-PYRAZOLE

C11H12N2O2 (204.0898732)


   

7H-SPIRO[FURO[3,4-B]PYRIDINE-5,4-PIPERIDIN]-7-ONE

7H-SPIRO[FURO[3,4-B]PYRIDINE-5,4-PIPERIDIN]-7-ONE

C11H12N2O2 (204.0898732)


   

(2E,4E,6E,8E)-9-(4-METHOXY-2,3,6-TRIMETHYL-PHENYL)-3,7-DIMETHYL-NONA-2,4,6,8-TETRAENOICACIDBUTYLESTER

(2E,4E,6E,8E)-9-(4-METHOXY-2,3,6-TRIMETHYL-PHENYL)-3,7-DIMETHYL-NONA-2,4,6,8-TETRAENOICACIDBUTYLESTER

C11H12N2O2 (204.0898732)


   

3-Ethyl-7-hydroxy-4-methyl-2H-chromen-2-one

3-Ethyl-7-hydroxy-4-methyl-2H-chromen-2-one

C12H12O3 (204.0786402)


   

3-(3,4-Dimethoxyphenyl)-1H-pyrazole

3-(3,4-Dimethoxyphenyl)-1H-pyrazole

C11H12N2O2 (204.0898732)


   

1-DIMETHYLAMINOMETHYL-1H-INDOLE-2,3-DIONE

1-DIMETHYLAMINOMETHYL-1H-INDOLE-2,3-DIONE

C11H12N2O2 (204.0898732)


   

1-PHENYL-3-(TRIMETHYLSILYL)-2-PROPYN-1-&

1-PHENYL-3-(TRIMETHYLSILYL)-2-PROPYN-1-&

C12H16OSi (204.09703659999997)


   

2-(6-(Trifluoromethyl)pyridin-2-yl)propan-2-amine

2-(6-(Trifluoromethyl)pyridin-2-yl)propan-2-amine

C9H11F3N2 (204.08742819999998)


   

ethyl 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)acetate

ethyl 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)acetate

C11H12N2O2 (204.0898732)


   

ALPHA,2-DIMETHYL-1H-BENZIMIDAZOLE-1-ACETIC ACID

ALPHA,2-DIMETHYL-1H-BENZIMIDAZOLE-1-ACETIC ACID

C11H12N2O2 (204.0898732)


   

2,4-Pentanedione,3-(2-phenyldiazenyl)-

2,4-Pentanedione,3-(2-phenyldiazenyl)-

C11H12N2O2 (204.0898732)


   

2-Methyl-imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester

2-Methyl-imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester

C11H12N2O2 (204.0898732)


   

2-(3-AMINOPROPYL)ISOINDOLINE-1,3-DIONE

2-(3-AMINOPROPYL)ISOINDOLINE-1,3-DIONE

C11H12N2O2 (204.0898732)


   

7-hydroxy-3,4,8-trimethylchromen-2-one

7-hydroxy-3,4,8-trimethylchromen-2-one

C12H12O3 (204.0786402)


   

2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-1-oxo-, methyl ester

2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-1-oxo-, methyl ester

C12H12O3 (204.0786402)


   

1-Benzyl-2,3-piperazinedione

1-Benzyl-2,3-piperazinedione

C11H12N2O2 (204.0898732)


   

3-Amino-5-methyl-1H-indole-2-carboxylic acid methyl ester

3-Amino-5-methyl-1H-indole-2-carboxylic acid methyl ester

C11H12N2O2 (204.0898732)


   

tert-butyl N-(2-amino-2-sulfanylideneethyl)-N-methylcarbamate

tert-butyl N-(2-amino-2-sulfanylideneethyl)-N-methylcarbamate

C8H16N2O2S (204.09324360000002)


   

(2E,4E)-5-(3-Methoxyphenyl)-2,4-pentadienoic acid

(2E,4E)-5-(3-Methoxyphenyl)-2,4-pentadienoic acid

C12H12O3 (204.0786402)


   

1-(1,1-dioxidotetrahydro-3-thienyl)piperazine(SALTDATA: 2HCl)

1-(1,1-dioxidotetrahydro-3-thienyl)piperazine(SALTDATA: 2HCl)

C8H16N2O2S (204.09324360000002)


   

Methyl 1-ethyl-1H-benzo[d]imidazole-6-carboxylate

Methyl 1-ethyl-1H-benzo[d]imidazole-6-carboxylate

C11H12N2O2 (204.0898732)


   
   

Ethyl N-(4-cyanophenyl)glycinate

Ethyl N-(4-cyanophenyl)glycinate

C11H12N2O2 (204.0898732)


   

5-(1,3-dioxolan-2-yl)-2-methyl-1-benzofuran

5-(1,3-dioxolan-2-yl)-2-methyl-1-benzofuran

C12H12O3 (204.0786402)


   

1-Methyl-1H-benzimidazole-5-carboxylic acid ethyl ester

1-Methyl-1H-benzimidazole-5-carboxylic acid ethyl ester

C11H12N2O2 (204.0898732)


   

2-(3-METHOXY-PHENYL)-OXAZOL-4-YL-METHYLAMINE

2-(3-METHOXY-PHENYL)-OXAZOL-4-YL-METHYLAMINE

C11H12N2O2 (204.0898732)


   

3-amino-3-(1H-indol-3-yl)propanoic acid

3-amino-3-(1H-indol-3-yl)propanoic acid

C11H12N2O2 (204.0898732)


   

1-(8-METHOXY-2H-CHROMEN-3-YL)-1-ETHANONE

1-(8-METHOXY-2H-CHROMEN-3-YL)-1-ETHANONE

C12H12O3 (204.0786402)


   

Ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate

Ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate

C11H12N2O2 (204.0898732)


   

9,10-dimethyl-2,6-diazabicyclo[5.4.0]undeca-8,10,12-triene-3,5-dione

9,10-dimethyl-2,6-diazabicyclo[5.4.0]undeca-8,10,12-triene-3,5-dione

C11H12N2O2 (204.0898732)


   

(5,6-DIMETHYL-1-BENZOFURAN-3-YL)ACETIC ACID

(5,6-DIMETHYL-1-BENZOFURAN-3-YL)ACETIC ACID

C12H12O3 (204.0786402)


   

4-Ethoxy-1H-indole-7-carboxamide

4-Ethoxy-1H-indole-7-carboxamide

C11H12N2O2 (204.0898732)


   

methyl 5-oxo-7,8-dihydro-6H-naphthalene-2-carboxylate

methyl 5-oxo-7,8-dihydro-6H-naphthalene-2-carboxylate

C12H12O3 (204.0786402)


   

Pyrazolo[1,5-a]pyridine-3-carboxylic acid, 2-Methyl-, ethyl ester

Pyrazolo[1,5-a]pyridine-3-carboxylic acid, 2-Methyl-, ethyl ester

C11H12N2O2 (204.0898732)


   

4-(4-hydroxy-1-butynyl)benzoic acid methyl ester

4-(4-hydroxy-1-butynyl)benzoic acid methyl ester

C12H12O3 (204.0786402)


   

ethyl 3-(2-formylphenyl)prop-2-enoate

ethyl 3-(2-formylphenyl)prop-2-enoate

C12H12O3 (204.0786402)


   

ETHYL 1-METHYL-1H-INDAZOLE-3-CARBOXYLATE

ETHYL 1-METHYL-1H-INDAZOLE-3-CARBOXYLATE

C11H12N2O2 (204.0898732)


   

3-(2-Methyl-1H-benzimidazol-1-yl)propanoic acid

3-(2-Methyl-1H-benzimidazol-1-yl)propanoic acid

C11H12N2O2 (204.0898732)


   

1-PHENYLNAPHTHALENE

1-PHENYLNAPHTHALENE

C16H12 (204.0938952)


   

4-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid

4-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid

C12H12O3 (204.0786402)


   

3-Ethoxy-4-prop-2-ynyloxy-benzaldehyde

3-Ethoxy-4-prop-2-ynyloxy-benzaldehyde

C12H12O3 (204.0786402)


   

1-Methyl-1H-benzimidazole-6-carboxylic acid ethyl ester

1-Methyl-1H-benzimidazole-6-carboxylic acid ethyl ester

C11H12N2O2 (204.0898732)


   

5,10-Dihydroindeno[2,1-a]indene

5,10-Dihydroindeno[2,1-a]indene

C16H12 (204.0938952)


   

Methyl 1,2-dimethyl-1H-benzo[d]imidazole-5-carboxylate

Methyl 1,2-dimethyl-1H-benzo[d]imidazole-5-carboxylate

C11H12N2O2 (204.0898732)


   

[Dimethoxy(methyl)silyl]methyl methacrylate

[Dimethoxy(methyl)silyl]methyl methacrylate

C8H16O4Si (204.0817816)


   

(5,6-DIMETHYL-1H-BENZIMIDAZOL-1-YL)ACETIC ACID

(5,6-DIMETHYL-1H-BENZIMIDAZOL-1-YL)ACETIC ACID

C11H12N2O2 (204.0898732)


   

6-chlorohexyl 2-methylprop-2-enoate

6-chlorohexyl 2-methylprop-2-enoate

C10H17ClO2 (204.09170120000002)


   

METHYL(2-METHYL-1H-PYRROLO[2,3-B]PYRIDINE 3-YL)ACETATE

METHYL(2-METHYL-1H-PYRROLO[2,3-B]PYRIDINE 3-YL)ACETATE

C11H12N2O2 (204.0898732)


   

ethyl 2-aminoindole-3-carboxylate

ethyl 2-aminoindole-3-carboxylate

C11H12N2O2 (204.0898732)


   

Ethyl 5-amino-1H-indole-2-carboxylate

Ethyl 5-amino-1H-indole-2-carboxylate

C11H12N2O2 (204.0898732)


   

ethyl 3-benzoylacrylate

ethyl 3-benzoylacrylate

C12H12O3 (204.0786402)


   

Benzyl (1-cyanoethyl)carbamate

Benzyl (1-cyanoethyl)carbamate

C11H12N2O2 (204.0898732)


   

3-methylbenzofuran-2-carboxylic acid ethyl ester

3-methylbenzofuran-2-carboxylic acid ethyl ester

C12H12O3 (204.0786402)


   

n-methoxy-n-methyl-1h-indole-3-carboxamide

n-methoxy-n-methyl-1h-indole-3-carboxamide

C11H12N2O2 (204.0898732)


   

4-(1H-benzimidazol-2-yl)butanoic acid

4-(1H-benzimidazol-2-yl)butanoic acid

C11H12N2O2 (204.0898732)


   

3-(4-methoxyphenyl)-4-methyl-1H-imidazol-2-one

3-(4-methoxyphenyl)-4-methyl-1H-imidazol-2-one

C11H12N2O2 (204.0898732)


   

Benzyl 3-oxocyclobutanecarboxylate

Benzyl 3-oxocyclobutanecarboxylate

C12H12O3 (204.0786402)


   

6-METHOXY-1-OXO-1,2,3,4-TETRAHYDRO-[2]-NAPHTHALDEHYDE

6-METHOXY-1-OXO-1,2,3,4-TETRAHYDRO-[2]-NAPHTHALDEHYDE

C12H12O3 (204.0786402)


   

Ethyl imidazo[1,2-a]pyridin-2-ylacetate

Ethyl imidazo[1,2-a]pyridin-2-ylacetate

C11H12N2O2 (204.0898732)


   

5-(2,4-dimethoxyphenyl)-1H-pyrazole

5-(2,4-dimethoxyphenyl)-1H-pyrazole

C11H12N2O2 (204.0898732)


   

(S)-ALPHA-(4-METHYLBENZYL)-PROLINE-HCL

(S)-ALPHA-(4-METHYLBENZYL)-PROLINE-HCL

C11H12N2O2 (204.0898732)


   

5-Isoxazolamine,3-(3-ethoxyphenyl)-(9CI)

5-Isoxazolamine,3-(3-ethoxyphenyl)-(9CI)

C11H12N2O2 (204.0898732)


   

3-(4-ETHOXY-PHENYL)-ISOXAZOL-5-YLAMINE

3-(4-ETHOXY-PHENYL)-ISOXAZOL-5-YLAMINE

C11H12N2O2 (204.0898732)


   

6-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one

6-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one

C12H12O3 (204.0786402)


   

9-Vinylanthracene

9-Vinylanthracene

C16H12 (204.0938952)


   

4-(4-isocyanatophenyl)morpholine

4-(4-isocyanatophenyl)morpholine

C11H12N2O2 (204.0898732)


   

3-(2-hydroxyethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

3-(2-hydroxyethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

C11H12N2O2 (204.0898732)


   

4,5-Dihydroxymethyl-2-phenylimidazole

4,5-Dihydroxymethyl-2-phenylimidazole

C11H12N2O2 (204.0898732)


   

3-AMINOMETHYL-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER

3-AMINOMETHYL-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER

C11H12N2O2 (204.0898732)


   

Ethyl 2-(2-Cyanoanilino)acetate

Ethyl 2-(2-Cyanoanilino)acetate

C11H12N2O2 (204.0898732)


   

Dicyclopentylphosphinous chloride

Dicyclopentylphosphinous chloride

C10H18ClP (204.0834588)


   

TERT-BUTYL-2-CYANONICOTINATE

TERT-BUTYL-2-CYANONICOTINATE

C11H12N2O2 (204.0898732)


   

1-(7-Ethoxy-1-benzofuran-2-yl)ethanone

1-(7-Ethoxy-1-benzofuran-2-yl)ethanone

C12H12O3 (204.0786402)


   

6,7-dimethoxy-2-methylquinoxaline

6,7-dimethoxy-2-methylquinoxaline

C11H12N2O2 (204.0898732)


   

Ethyl imidazo[1,2-a]pyridin-3-ylacetate

Ethyl imidazo[1,2-a]pyridin-3-ylacetate

C11H12N2O2 (204.0898732)


   

ethyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

ethyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

C11H12N2O2 (204.0898732)


   

1H-Pyrrolo[2,3-b]pyridine-3-propionic acid, 2-methyl- (8CI)

1H-Pyrrolo[2,3-b]pyridine-3-propionic acid, 2-methyl- (8CI)

C11H12N2O2 (204.0898732)


   

5-HYDROXY-2,2-DIMETHYL-2H-CHROMENE-6-CARBALDEHYDE

5-HYDROXY-2,2-DIMETHYL-2H-CHROMENE-6-CARBALDEHYDE

C12H12O3 (204.0786402)


   

2-(Dimethoxymethyl)-1,8-naphthyridine

2-(Dimethoxymethyl)-1,8-naphthyridine

C11H12N2O2 (204.0898732)


   

2-vinyl anthracene

2-vinyl anthracene

C16H12 (204.0938952)


   

Ethyl 3-amino-1H-indole-2-carboxylate

Ethyl 3-amino-1H-indole-2-carboxylate

C11H12N2O2 (204.0898732)


   

3H-SPIRO[FURO[3,4-C]PYRIDINE-1,4-PIPERIDIN]-3-ONE

3H-SPIRO[FURO[3,4-C]PYRIDINE-1,4-PIPERIDIN]-3-ONE

C11H12N2O2 (204.0898732)


   

ethyl8-methylimidazo[1,2-a]pyridine-2-carboxylate

ethyl8-methylimidazo[1,2-a]pyridine-2-carboxylate

C11H12N2O2 (204.0898732)


   

4-Imino-5,5-dimethyl-3-phenyl-oxazolidin-2-one

4-Imino-5,5-dimethyl-3-phenyl-oxazolidin-2-one

C11H12N2O2 (204.0898732)


   

3-(4-Methoxyphenyl)-1-methyl-1H-pyrazol-5-ol

3-(4-Methoxyphenyl)-1-methyl-1H-pyrazol-5-ol

C11H12N2O2 (204.0898732)


   

tert-Butyl N-(3-amino-3-thioxopropyl)carbamate

tert-Butyl N-(3-amino-3-thioxopropyl)carbamate

C8H16N2O2S (204.09324360000002)


   

3-(3-BROMOPHENYL)-5-METHYL-1H-PYRAZOLE

3-(3-BROMOPHENYL)-5-METHYL-1H-PYRAZOLE

C11H12N2O2 (204.0898732)


   

AKOS BBS-00001917

AKOS BBS-00001917

C12H12O3 (204.0786402)


   

3-BENZOIMIDAZOL-1-YL-2-METHYL-PROPIONIC ACID

3-BENZOIMIDAZOL-1-YL-2-METHYL-PROPIONIC ACID

C11H12N2O2 (204.0898732)


   

5-AMINO-3-(2-ETHOXYPHENYL)ISOXAZOLE

5-AMINO-3-(2-ETHOXYPHENYL)ISOXAZOLE

C11H12N2O2 (204.0898732)


   

METHYL 8-OXO-5,6,7,8-TETRAHYDRONAPHTHALENE-2-CARBOXYLATE

METHYL 8-OXO-5,6,7,8-TETRAHYDRONAPHTHALENE-2-CARBOXYLATE

C12H12O3 (204.0786402)


   

ethyl 3-oxo-2,3-dihydro-1H-indene-4-carboxylate

ethyl 3-oxo-2,3-dihydro-1H-indene-4-carboxylate

C12H12O3 (204.0786402)


   

(R)-benzyl 1-cyanoethylcarbamate

(R)-benzyl 1-cyanoethylcarbamate

C11H12N2O2 (204.0898732)


   

6-(2-Fluorpyridin-3-yl)-N-methylpyrimidin-4-amin

6-(2-Fluorpyridin-3-yl)-N-methylpyrimidin-4-amin

C10H9FN4 (204.08112059999996)


   

4-oxo-1,2,3,4-tetrahydronaphthalen-1-yl acetate

4-oxo-1,2,3,4-tetrahydronaphthalen-1-yl acetate

C12H12O3 (204.0786402)


   

1-(6-METHOXY-2H-CHROMENE-3-YL)ETHAN-1-ONE

1-(6-METHOXY-2H-CHROMENE-3-YL)ETHAN-1-ONE

C12H12O3 (204.0786402)


   

Ethyl 7-methylpyrazolo[1,5-a]pyridine-3-carboxylate

Ethyl 7-methylpyrazolo[1,5-a]pyridine-3-carboxylate

C11H12N2O2 (204.0898732)


   

4-tert-Butylphthalic anhydride

4-tert-Butylphthalic anhydride

C12H12O3 (204.0786402)


   

ethyl 6-amino-1H-indole-7-carboxylate

ethyl 6-amino-1H-indole-7-carboxylate

C11H12N2O2 (204.0898732)


   

1-(2-HYDROXYETHOXY)METHYL-5-BROMOURACIL

1-(2-HYDROXYETHOXY)METHYL-5-BROMOURACIL

C12H12O3 (204.0786402)


   

N~1~,N~1~-dimethyl-2-(trifluoromethyl)-1,4-benzenediamine(SALTDATA: 2HCl)

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, 4,6-dimethyl-, Methyl ester

C11H12N2O2 (204.0898732)


   

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 1-Methyl-, ethyl ester

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 1-Methyl-, ethyl ester

C11H12N2O2 (204.0898732)


   

2-Cyano-N-(4-ethoxyphenyl)acetamide

2-Cyano-N-(4-ethoxyphenyl)acetamide

C11H12N2O2 (204.0898732)


   

ETHYL 2-(BENZOFURAN-3-YL)ACETATE

ETHYL 2-(BENZOFURAN-3-YL)ACETATE

C12H12O3 (204.0786402)


   

Ethyl 2-methyl-2H-indazole-3-carboxylate

Ethyl 2-methyl-2H-indazole-3-carboxylate

C11H12N2O2 (204.0898732)


   

2-Isopropyl-1H-benzoimidazole-5-carboxylic acid

2-Isopropyl-1H-benzoimidazole-5-carboxylic acid

C11H12N2O2 (204.0898732)


   

3-(1-METHYL-1H-BENZOIMIDAZOL-2-YL)-PROPIONIC ACID

3-(1-METHYL-1H-BENZOIMIDAZOL-2-YL)-PROPIONIC ACID

C11H12N2O2 (204.0898732)


   

2,4-Diamino-6-(4-fluorophenyl)pyrimidine

2,4-Diamino-6-(4-fluorophenyl)pyrimidine

C10H9FN4 (204.08112059999996)


   

3(2H)-Pyridazinone,4,5-dihydro-5-(hydroxymethyl)-6-phenyl-

3(2H)-Pyridazinone,4,5-dihydro-5-(hydroxymethyl)-6-phenyl-

C11H12N2O2 (204.0898732)


   

9-VINYLPHENANTHRENE

9-VINYLPHENANTHRENE

C16H12 (204.0938952)


   

1-N,1-N-dimethyl-4-(trifluoromethyl)benzene-1,2-diamine

1-N,1-N-dimethyl-4-(trifluoromethyl)benzene-1,2-diamine

C9H11F3N2 (204.08742819999998)


   

2-(3-methoxyphenyl)ethynyl-trimethylsilane

2-(3-methoxyphenyl)ethynyl-trimethylsilane

C12H16OSi (204.09703659999997)


   

N-((6-(TRIFLUOROMETHYL)PYRIDIN-2-YL)METHYL)ETHANAMINE

N-((6-(TRIFLUOROMETHYL)PYRIDIN-2-YL)METHYL)ETHANAMINE

C9H11F3N2 (204.08742819999998)


   

4-(4-Methoxyphenyl)-3-methylisoxazol-5-amine

4-(4-Methoxyphenyl)-3-methylisoxazol-5-amine

C11H12N2O2 (204.0898732)


   

Ethyl 1H-pyrrolo[3,2-b]pyridin-3-ylacetate

Ethyl 1H-pyrrolo[3,2-b]pyridin-3-ylacetate

C11H12N2O2 (204.0898732)


   

4,5-Dihydro-6-(4-methoxyphenyl)pyridazin-3(2H)-one

4,5-Dihydro-6-(4-methoxyphenyl)pyridazin-3(2H)-one

C11H12N2O2 (204.0898732)


   

ethyl 5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate

ethyl 5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate

C11H12N2O2 (204.0898732)


   

ETHYL 4-(PROP-2-YNYLOXY)BENZOATE

ETHYL 4-(PROP-2-YNYLOXY)BENZOATE

C12H12O3 (204.0786402)


   

ethyl 2-(2H-indazol-3-yl)acetate

ethyl 2-(2H-indazol-3-yl)acetate

C11H12N2O2 (204.0898732)


   

7,8-Dimethoxy-4-quinolinamine

7,8-Dimethoxy-4-quinolinamine

C11H12N2O2 (204.0898732)


   

5-METHYL-PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER

5-METHYL-PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER

C11H12N2O2 (204.0898732)


   

benzyl 4-hydroxypent-2-ynoate

benzyl 4-hydroxypent-2-ynoate

C12H12O3 (204.0786402)


   

methyl 3-(aminomethyl)-1H-indole-6-carboxylate

methyl 3-(aminomethyl)-1H-indole-6-carboxylate

C11H12N2O2 (204.0898732)


   

(S)-2,6-Diaminohexan-1-ol dihydrochloride

(S)-2,6-Diaminohexan-1-ol dihydrochloride

C6H18Cl2N2O (204.0796118)


   

1,2,3,4,5,6-Benzenehexamine, hydrochloride

1,2,3,4,5,6-Benzenehexamine, hydrochloride

C6H13ClN6 (204.08901680000002)


   

(R)-(-)-N-[1-(1-NAPHTHYL)ETHYL]-3,5-DINITROBENZAMIDE

(R)-(-)-N-[1-(1-NAPHTHYL)ETHYL]-3,5-DINITROBENZAMIDE

C11H12N2O2 (204.0898732)


   

[(2-Methoxyphenyl)ethynyl](trimethyl)silane

[(2-Methoxyphenyl)ethynyl](trimethyl)silane

C12H16OSi (204.09703659999997)


   

4-(2-Cyclopropylacetyl)phenylboronic acid

4-(2-Cyclopropylacetyl)phenylboronic acid

C11H13BO3 (204.09576980000003)


   

2H-Chromene-3-carboxylic acid ethyl ester

2H-Chromene-3-carboxylic acid ethyl ester

C12H12O3 (204.0786402)


   

6-hydroxy-2-propylchromen-4-one

6-hydroxy-2-propylchromen-4-one

C12H12O3 (204.0786402)


   

1-Ethyl-2-Methylbenzodiazole-5-carboxylic acid

1-Ethyl-2-Methylbenzodiazole-5-carboxylic acid

C11H12N2O2 (204.0898732)


   

((4-METHOXYPHENYL)ETHYNYL)TRIMETHYLSILANE

((4-METHOXYPHENYL)ETHYNYL)TRIMETHYLSILANE

C12H16OSi (204.09703659999997)


   

1H-Indole-3-acetamide,5-methoxy-

1H-Indole-3-acetamide,5-methoxy-

C11H12N2O2 (204.0898732)


   

Ethyl trimethylsilyl malonate

1-O-ethyl 3-O-trimethylsilyl propanedioate

C8H16O4Si (204.0817816)


   

6-Amino-1H-Indole-4-Carboxylic Acid Ethyl Ester

6-Amino-1H-Indole-4-Carboxylic Acid Ethyl Ester

C11H12N2O2 (204.0898732)


   

(R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHYLAMINEHCL

(R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHYLAMINEHCL

C11H12N2O2 (204.0898732)


   

1H-Benzimidazole-2-propanoicacid, 6-methyl-

1H-Benzimidazole-2-propanoicacid, 6-methyl-

C11H12N2O2 (204.0898732)


   

4-(1H-BENZIMIDAZOL-1-YL)BUTANOIC ACID

4-(1H-BENZIMIDAZOL-1-YL)BUTANOIC ACID

C11H12N2O2 (204.0898732)


   

3-(2-methylphenyl)oxane-2,6-dione

3-(2-methylphenyl)oxane-2,6-dione

C12H12O3 (204.0786402)


   

(1H-Benzoimidazol-2-yl)acetic acid ethyl ester

(1H-Benzoimidazol-2-yl)acetic acid ethyl ester

C11H12N2O2 (204.0898732)


   

3,6,7-trimethyl-1-benzofuran-2-carboxylic acid

3,6,7-trimethyl-1-benzofuran-2-carboxylic acid

C12H12O3 (204.0786402)


   

6-DIMETHYLAMINO-1H-INDOLE-2-CARBOXYLIC ACID

6-DIMETHYLAMINO-1H-INDOLE-2-CARBOXYLIC ACID

C11H12N2O2 (204.0898732)


   

(+)-5-Ethyl-5-phenylhydantoin

(S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine

C11H12N2O2 (204.0898732)


   

2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridine-3-carbaldehyde

2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridine-3-carbaldehyde

C11H12N2O2 (204.0898732)


   

1-(2-TRIMETHYLSILOXYETHOXY)-1-TRIMETHYLSILOXY-2-METHYLPROPENE

1-(2-TRIMETHYLSILOXYETHOXY)-1-TRIMETHYLSILOXY-2-METHYLPROPENE

C9H11F3N2 (204.08742819999998)


   

2-benzyl-5-(hydroxymethyl)-1H-pyrazol-3-one

2-benzyl-5-(hydroxymethyl)-1H-pyrazol-3-one

C11H12N2O2 (204.0898732)


   
   

N-METHYL-N-[[5-(PYRIDIN-3-YLOXY)-2-FURYL]METHYL]AMINE

N-METHYL-N-[[5-(PYRIDIN-3-YLOXY)-2-FURYL]METHYL]AMINE

C11H12N2O2 (204.0898732)


   

2-(2-METHOXY-PHENYL)-OXAZOL-4-YL-METHYLAMINE

2-(2-METHOXY-PHENYL)-OXAZOL-4-YL-METHYLAMINE

C11H12N2O2 (204.0898732)


   

(E)-ETHYL 3-(4-FORMYLPHENYL)ACRYLATE

(E)-ETHYL 3-(4-FORMYLPHENYL)ACRYLATE

C12H12O3 (204.0786402)


   

ethyl 5-methyl-1H-indazole-3-carboxylate

ethyl 5-methyl-1H-indazole-3-carboxylate

C11H12N2O2 (204.0898732)


   

1,3,5-Triacetylbenzene

1,3,5-Triacetylbenzene

C12H12O3 (204.0786402)


   

1-ISOPROPYLINDAZOLE-3-CARBOXYLIC ACID

1-ISOPROPYLINDAZOLE-3-CARBOXYLIC ACID

C11H12N2O2 (204.0898732)


   

(4,6-DIMETHYL-1-BENZOFURAN-3-YL)ACETIC ACID

(4,6-DIMETHYL-1-BENZOFURAN-3-YL)ACETIC ACID

C12H12O3 (204.0786402)


   

2-(Dimethoxymethyl)-1,6-naphthyridine

2-(Dimethoxymethyl)-1,6-naphthyridine

C11H12N2O2 (204.0898732)


   

1-[5-(4-methoxyphenyl)isoxazol-3-yl]methanamine

1-[5-(4-methoxyphenyl)isoxazol-3-yl]methanamine

C11H12N2O2 (204.0898732)


   

2-(6-(Trifluoromethyl)pyridin-3-yl)propan-2-amine

2-(6-(Trifluoromethyl)pyridin-3-yl)propan-2-amine

C9H11F3N2 (204.08742819999998)


   

Methyl 6-(carbamothioylamino)hexanoate

Methyl 6-(carbamothioylamino)hexanoate

C8H16N2O2S (204.09324360000002)


   
   
   

7-Methoxy-4,8-dimethylchromen-2-one

7-Methoxy-4,8-dimethylchromen-2-one

C12H12O3 (204.0786402)


   
   
   

2,3,5-Trimethyl-6-nitroindole

2,3,5-Trimethyl-6-nitroindole

C11H12N2O2 (204.0898732)


   

2,3,6-Trimethyl-5-nitro-1H-indole

2,3,6-Trimethyl-5-nitro-1H-indole

C11H12N2O2 (204.0898732)


   

CHEBI:1458

(3Z)-3-butylidene-7-hydroxy-2-benzofuran-1(3H)-one

C12H12O3 (204.0786402)


   

605-02-7

InChI=1\C16H12\c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16\h1-12

C16H12 (204.0938952)


   

(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate

(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate

C11H12N2O2 (204.0898732)


   

(2R)-2-azaniumyl-3-(1H-indol-3-yl)propanoate

(2R)-2-azaniumyl-3-(1H-indol-3-yl)propanoate

C11H12N2O2 (204.0898732)


   

(1S,2S)-3-phenoxycyclohexa-3,5-diene-1,2-diol

(1S,2S)-3-phenoxycyclohexa-3,5-diene-1,2-diol

C12H12O3 (204.0786402)


   

(2S)-4-hydroxy-2-[[(3R)-3-hydroxybutanoyl]amino]butanoate

(2S)-4-hydroxy-2-[[(3R)-3-hydroxybutanoyl]amino]butanoate

C8H14NO5- (204.0871934)


   

2-azaniumyl-3-(1H-indol-3-yl)propanoate

2-azaniumyl-3-(1H-indol-3-yl)propanoate

C11H12N2O2 (204.0898732)


   

(3Z)-3-benzylidene-4-oxopentanoic acid

(3Z)-3-benzylidene-4-oxopentanoic acid

C12H12O3 (204.0786402)


   

Dibutyldithiocarbamate

Dibutyldithiocarbamate

C9H18NS2- (204.0880608)


   

Tryptophan cation radical

Tryptophan cation radical

C11H12N2O2+ (204.0898732)


   

3-[(2S)-2-amino-2-carboxyethyl]-1H-indol-1-ium-1-yl

3-[(2S)-2-amino-2-carboxyethyl]-1H-indol-1-ium-1-yl

C11H12N2O2+ (204.0898732)


   

3-[(2R)-2-amino-2-carboxyethyl]-1H-indol-1-ium-1-yl

3-[(2R)-2-amino-2-carboxyethyl]-1H-indol-1-ium-1-yl

C11H12N2O2+ (204.0898732)


   

Methyl 3-oxo-5-propylthiopentanoate

Methyl 3-oxo-5-propylthiopentanoate

C9H16O3S (204.08201060000002)


   

1-Chloro-5-(1-ethoxyethoxy)-3-methyl-1,3-pentadiene

1-Chloro-5-(1-ethoxyethoxy)-3-methyl-1,3-pentadiene

C10H17ClO2 (204.09170120000002)


   

7-Methoxy-3-methyl-2,3-methanochroman-4-one

7-Methoxy-3-methyl-2,3-methanochroman-4-one

C12H12O3 (204.0786402)


   

ethotoin

ethotoin

C11H12N2O2 (204.0898732)


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

   

DL-Tryptophan

DL-Tryptophan

C11H12N2O2 (204.0898732)


DL-Tryptophan is an endogenous metabolite.

   

1,2-Dihydroaceanthrylene

1,2-Dihydroaceanthrylene

C16H12 (204.0938952)


   

(Z)-3-butylidene-7-hydroxyphthalide

(Z)-3-butylidene-7-hydroxyphthalide

C12H12O3 (204.0786402)


   

2-oxo-8-methylthiooctanoic acid

2-oxo-8-methylthiooctanoic acid

C9H16O3S (204.08201060000002)


   

IDAZOXAN

IDAZOXAN

C11H12N2O2 (204.0898732)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists

   

D-tryptophan zwitterion

D-tryptophan zwitterion

C11H12N2O2 (204.0898732)


Zwitterionic form of D-tryptophan having an anionic carboxy group and a protonated alpha-amino group; major species at pH 7.3.

   

Nirvanol

2,4-Imidazolidinedione,5-ethyl-5-phenyl-

C11H12N2O2 (204.0898732)


D002491 - Central Nervous System Agents > D000927 - Anticonvulsants

   

2,2-dimethyl-2H-chromene-6-carboxylic acid

2,2-dimethyl-2H-chromene-6-carboxylic acid

C12H12O3 (204.0786402)


   

L-tryptophanyl radical cation

L-tryptophanyl radical cation

C11H12N2O2 (204.0898732)


   

D-tryptophanyl radical cation

D-tryptophanyl radical cation

C11H12N2O2 (204.0898732)


   

L-tryptophan zwitterion

L-tryptophan zwitterion

C11H12N2O2 (204.0898732)


An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-tryptophan; major species at pH 7.3.

   

tryptophan zwitterion

tryptophan zwitterion

C11H12N2O2 (204.0898732)


An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of tryptophan; major species at pH 7.3.

   
   

Org-26576

Org-26576

C11H12N2O2 (204.0898732)


Org-26576 is a AMPA receptor positive allosteric modulator.

   

(2s)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylic acid

(2s)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylic acid

C12H12O3 (204.0786402)


   

(4s)-4-methoxy-3,4-dihydronaphthalene-2-carboxylic acid

(4s)-4-methoxy-3,4-dihydronaphthalene-2-carboxylic acid

C12H12O3 (204.0786402)


   

(1r)-1h,2h,3h,4h,9h-pyrido[3,4-b]indole-1,6-diol

(1r)-1h,2h,3h,4h,9h-pyrido[3,4-b]indole-1,6-diol

C11H12N2O2 (204.0898732)


   

2,4-dihydroxy-6-(penta-1,3-dien-1-yl)benzaldehyde

2,4-dihydroxy-6-(penta-1,3-dien-1-yl)benzaldehyde

C12H12O3 (204.0786402)


   

(2e)-3-(7-methoxy-1-benzofuran-5-yl)prop-2-en-1-ol

(2e)-3-(7-methoxy-1-benzofuran-5-yl)prop-2-en-1-ol

C12H12O3 (204.0786402)


   

(2s)-2-amino-3-(1h-indol-2-yl)propanoic acid

(2s)-2-amino-3-(1h-indol-2-yl)propanoic acid

C11H12N2O2 (204.0898732)


   

(2r)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylic acid

(2r)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylic acid

C12H12O3 (204.0786402)


   

(3z)-3-[(2r)-2-hydroxybutylidene]-2-benzofuran-1-one

(3z)-3-[(2r)-2-hydroxybutylidene]-2-benzofuran-1-one

C12H12O3 (204.0786402)


   

2-amino-3-(1h-indol-2-yl)propanoic acid

2-amino-3-(1h-indol-2-yl)propanoic acid

C11H12N2O2 (204.0898732)


   

4-(2-aminophenyl)-2,3-dihydro-1h-pyrrole-2-carboxylic acid

4-(2-aminophenyl)-2,3-dihydro-1h-pyrrole-2-carboxylic acid

C11H12N2O2 (204.0898732)


   

2,6-dimethyl-1-oxo-2,3-dihydroindene-4-carboxylic acid

2,6-dimethyl-1-oxo-2,3-dihydroindene-4-carboxylic acid

C12H12O3 (204.0786402)


   

(1s,9s)-10-hydroxy-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4,10-trien-6-one

(1s,9s)-10-hydroxy-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4,10-trien-6-one

C11H12N2O2 (204.0898732)


   

(3r)-1h,2h,3h,9h-pyrrolo[2,1-b]quinazoline-3,7-diol

(3r)-1h,2h,3h,9h-pyrrolo[2,1-b]quinazoline-3,7-diol

C11H12N2O2 (204.0898732)


   

(2r,3r,6r)-2-chloro-3-hydroxy-6-isopropyl-3-methylcyclohexan-1-one

(2r,3r,6r)-2-chloro-3-hydroxy-6-isopropyl-3-methylcyclohexan-1-one

C10H17ClO2 (204.09170120000002)


   

3-butylidene-1(3h)-isobenzofuranone,9ci; (z)-form,5-hydroxy

NA

C12H12O3 (204.0786402)


{"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

NA

C12H12O3 (204.0786402)


{"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

NA

C12H12O3 (204.0786402)


{"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

(3E)-3-butylidene-7-hydroxy-1-isobenzofuranone; (3E)-3-butylidene-7-hydroxy-isobenzofuran-1-one

C12H12O3 (204.0786402)


{"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-(methylsulfanyl)-2-oxooctanoic acid

8-(methylsulfanyl)-2-oxooctanoic acid

C9H16O3S (204.08201060000002)


   

6,6-dimethyl-2h-[1,3]dioxolo[4,5-g]chromene

6,6-dimethyl-2h-[1,3]dioxolo[4,5-g]chromene

C12H12O3 (204.0786402)


   

(1r)-1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde

(1r)-1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde

C12H12O3 (204.0786402)


   

7-hydroxy-1,8a-dimethyl-1h-naphthalene-2,6-dione

7-hydroxy-1,8a-dimethyl-1h-naphthalene-2,6-dione

C12H12O3 (204.0786402)


   

4-methoxy-3,4-dihydronaphthalene-2-carboxylic acid

4-methoxy-3,4-dihydronaphthalene-2-carboxylic acid

C12H12O3 (204.0786402)


   

6-cyano-n-methylhexane-1-sulfonamide

6-cyano-n-methylhexane-1-sulfonamide

C8H16N2O2S (204.09324360000002)


   

3-(2-hydroxybutylidene)-2-benzofuran-1-one

3-(2-hydroxybutylidene)-2-benzofuran-1-one

C12H12O3 (204.0786402)


   

(6-methyl-1-benzofuran-3-yl)methyl acetate

(6-methyl-1-benzofuran-3-yl)methyl acetate

C12H12O3 (204.0786402)


   

7-methoxy-2,5-dimethylchromen-4-one

7-methoxy-2,5-dimethylchromen-4-one

C12H12O3 (204.0786402)


   

2,2-dimethyl-4-oxo-3h-1-benzopyran-6-carbaldehyde

2,2-dimethyl-4-oxo-3h-1-benzopyran-6-carbaldehyde

C12H12O3 (204.0786402)


   

(1r,8as)-7-hydroxy-1,8a-dimethyl-1h-naphthalene-2,6-dione

(1r,8as)-7-hydroxy-1,8a-dimethyl-1h-naphthalene-2,6-dione

C12H12O3 (204.0786402)


   

5-ethenyl-4,6-dimethoxy-1-benzofuran

5-ethenyl-4,6-dimethoxy-1-benzofuran

C12H12O3 (204.0786402)


   

2-methyl-3-(2-nitroethyl)-1h-indole

2-methyl-3-(2-nitroethyl)-1h-indole

C11H12N2O2 (204.0898732)


   

(1r,10s,11r)-11-methyl-12,13-dioxatricyclo[8.2.1.0²,⁷]trideca-2,4,6,8-tetraen-3-ol

(1r,10s,11r)-11-methyl-12,13-dioxatricyclo[8.2.1.0²,⁷]trideca-2,4,6,8-tetraen-3-ol

C12H12O3 (204.0786402)


   

7-methoxy-2,3-dimethylchromen-4-one

7-methoxy-2,3-dimethylchromen-4-one

C12H12O3 (204.0786402)


   

4-(ethoxymethyl)cyclopenta[c]pyran-7-carbaldehyde

4-(ethoxymethyl)cyclopenta[c]pyran-7-carbaldehyde

C12H12O3 (204.0786402)


   

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

C12H12O3 (204.0786402)


   

2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylic acid

2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylic acid

C12H12O3 (204.0786402)


   

(2s,3r)-3-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carbaldehyde

(2s,3r)-3-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carbaldehyde

C12H12O3 (204.0786402)


   

2-chloro-3-hydroxy-6-isopropyl-3-methylcyclohexan-1-one

2-chloro-3-hydroxy-6-isopropyl-3-methylcyclohexan-1-one

C10H17ClO2 (204.09170120000002)


   

(2z,8z)-10-hydroxydeca-2,8-dien-4,6-diyn-1-yl acetate

(2z,8z)-10-hydroxydeca-2,8-dien-4,6-diyn-1-yl acetate

C12H12O3 (204.0786402)


   

3'-methyl-1h-spiro[2-benzoxepine-3,2'-oxiran]-9-ol

3'-methyl-1h-spiro[2-benzoxepine-3,2'-oxiran]-9-ol

C12H12O3 (204.0786402)


   

4-methoxy-3,5-dimethylchromen-2-one

4-methoxy-3,5-dimethylchromen-2-one

C12H12O3 (204.0786402)


   

3-(7-methoxy-1-benzofuran-5-yl)prop-2-en-1-ol

3-(7-methoxy-1-benzofuran-5-yl)prop-2-en-1-ol

C12H12O3 (204.0786402)


   

3-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carbaldehyde

3-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carbaldehyde

C12H12O3 (204.0786402)


   

(2e,4e)-5-[2-(hydroxymethyl)phenyl]penta-2,4-dienoic acid

(2e,4e)-5-[2-(hydroxymethyl)phenyl]penta-2,4-dienoic acid

C12H12O3 (204.0786402)


   

10-hydroxydeca-2,8-dien-4,6-diyn-1-yl acetate

10-hydroxydeca-2,8-dien-4,6-diyn-1-yl acetate

C12H12O3 (204.0786402)


   

10-hydroxy-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4,10-trien-6-one

10-hydroxy-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4,10-trien-6-one

C11H12N2O2 (204.0898732)


   

2,4-dihydroxy-6-[(1e,3e)-penta-1,3-dien-1-yl]benzaldehyde

2,4-dihydroxy-6-[(1e,3e)-penta-1,3-dien-1-yl]benzaldehyde

C12H12O3 (204.0786402)


   

2,2-dimethylchromene-5-carboxylic acid

2,2-dimethylchromene-5-carboxylic acid

C12H12O3 (204.0786402)


   

1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde

1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde

C12H12O3 (204.0786402)


   

2-(4-hydroxyphenyl)-6-methyl-2,3-dihydropyran-4-one

2-(4-hydroxyphenyl)-6-methyl-2,3-dihydropyran-4-one

C12H12O3 (204.0786402)


   

2-(hydroxymethyl)-3-(3-methylbut-3-en-1-yn-1-yl)benzene-1,4-diol

2-(hydroxymethyl)-3-(3-methylbut-3-en-1-yn-1-yl)benzene-1,4-diol

C12H12O3 (204.0786402)


   

(3z)-3-(2-hydroxybutylidene)-2-benzofuran-1-one

(3z)-3-(2-hydroxybutylidene)-2-benzofuran-1-one

C12H12O3 (204.0786402)


   

(2e,8z)-10-hydroxydeca-2,8-dien-4,6-diyn-1-yl acetate

(2e,8z)-10-hydroxydeca-2,8-dien-4,6-diyn-1-yl acetate

C12H12O3 (204.0786402)


   

(2s)-2-(4-hydroxyphenyl)-6-methyl-2,3-dihydropyran-4-one

(2s)-2-(4-hydroxyphenyl)-6-methyl-2,3-dihydropyran-4-one

C12H12O3 (204.0786402)


   

2-(hexa-2,4-diyn-1-yl)naphthalene

2-(hexa-2,4-diyn-1-yl)naphthalene

C16H12 (204.0938952)


   

(1r,10s,11s)-11-methyl-12,13-dioxatricyclo[8.2.1.0²,⁷]trideca-2,4,6,8-tetraen-3-ol

(1r,10s,11s)-11-methyl-12,13-dioxatricyclo[8.2.1.0²,⁷]trideca-2,4,6,8-tetraen-3-ol

C12H12O3 (204.0786402)


   

1h,2h,3h,4h,9h-pyrido[3,4-b]indole-1,6-diol

1h,2h,3h,4h,9h-pyrido[3,4-b]indole-1,6-diol

C11H12N2O2 (204.0898732)


   

2-(2-hydroxypropan-2-yl)-1-benzofuran-5-carbaldehyde

2-(2-hydroxypropan-2-yl)-1-benzofuran-5-carbaldehyde

C12H12O3 (204.0786402)


   

tricyclo[10.4.0.0²,⁷]hexadeca-1(16),2,4,6,8,10,12,14-octaene

tricyclo[10.4.0.0²,⁷]hexadeca-1(16),2,4,6,8,10,12,14-octaene

C16H12 (204.0938952)


   

3-benzyl-3,6-dihydropyrazine-2,5-diol

3-benzyl-3,6-dihydropyrazine-2,5-diol

C11H12N2O2 (204.0898732)


   

5-[2-(hydroxymethyl)phenyl]penta-2,4-dienoic acid

5-[2-(hydroxymethyl)phenyl]penta-2,4-dienoic acid

C12H12O3 (204.0786402)


   

1h,2h,3h,9h-pyrrolo[2,1-b]quinazoline-3,7-diol

1h,2h,3h,9h-pyrrolo[2,1-b]quinazoline-3,7-diol

C11H12N2O2 (204.0898732)


   
   

2-(3-hydroxypropyl)quinazolin-4-ol

2-(3-hydroxypropyl)quinazolin-4-ol

C11H12N2O2 (204.0898732)


   

(2s)-2,6-dimethyl-1-oxo-2,3-dihydroindene-4-carboxylic acid

(2s)-2,6-dimethyl-1-oxo-2,3-dihydroindene-4-carboxylic acid

C12H12O3 (204.0786402)


   

(3s)-3-benzyl-3,6-dihydropyrazine-2,5-diol

(3s)-3-benzyl-3,6-dihydropyrazine-2,5-diol

C11H12N2O2 (204.0898732)


   

(3z)-3-butylidene-5-hydroxy-2-benzofuran-1-one

(3z)-3-butylidene-5-hydroxy-2-benzofuran-1-one

C12H12O3 (204.0786402)