Exact Mass: 223.082
Exact Mass Matches: 223.082
Found 500 metabolites which its exact mass value is equals to given mass value 223.082,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(E)-Monocrotophos
(e)-monocrotophos, also known as azodrin or dimethyl (E)-3-hydroxy-N-methylcrotonamide, is a member of the class of compounds known as dialkyl phosphates. Dialkyl phosphates are organic compounds containing a phosphate group that is linked to exactly two alkyl chain (e)-monocrotophos is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Within the cell, (e)-monocrotophos is primarily located in the cytoplasm. It can also be found in the extracellular space (e)-monocrotophos is a non-carcinogenic (not listed by IARC) potentially toxic compound. If the compound has been ingested, rapid gastric lavage should be performed using 5\\% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of -oximes has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally (T3DB). D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors (E)-Monocrotophos is an Agricultural insecticide with both systemic and contact actio D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; INTERNAL_ID 3133 D010575 - Pesticides > D007306 - Insecticides D009676 - Noxae > D009153 - Mutagens D016573 - Agrochemicals
2-AMINOANTHRAQUINONE
CONFIDENCE standard compound; INTERNAL_ID 633; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7954; ORIGINAL_PRECURSOR_SCAN_NO 7950 CONFIDENCE standard compound; INTERNAL_ID 633; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7992; ORIGINAL_PRECURSOR_SCAN_NO 7987 CONFIDENCE standard compound; INTERNAL_ID 633; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8048; ORIGINAL_PRECURSOR_SCAN_NO 8046 CONFIDENCE standard compound; INTERNAL_ID 633; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8029; ORIGINAL_PRECURSOR_SCAN_NO 8026 CONFIDENCE standard compound; INTERNAL_ID 633; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7993; ORIGINAL_PRECURSOR_SCAN_NO 7988 CONFIDENCE standard compound; INTERNAL_ID 633; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8037; ORIGINAL_PRECURSOR_SCAN_NO 8033
bendiocarb
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; INTERNAL_ID 8476 CONFIDENCE standard compound; INTERNAL_ID 4024 CONFIDENCE standard compound; INTERNAL_ID 2606 D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Mepanipyrim
CONFIDENCE standard compound; INTERNAL_ID 1114; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9352; ORIGINAL_PRECURSOR_SCAN_NO 9351 CONFIDENCE standard compound; INTERNAL_ID 1114; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9350; ORIGINAL_PRECURSOR_SCAN_NO 9348 CONFIDENCE standard compound; INTERNAL_ID 1114; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9334; ORIGINAL_PRECURSOR_SCAN_NO 9332 CONFIDENCE standard compound; INTERNAL_ID 1114; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9294; ORIGINAL_PRECURSOR_SCAN_NO 9293 CONFIDENCE standard compound; INTERNAL_ID 1114; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9316; ORIGINAL_PRECURSOR_SCAN_NO 9313 CONFIDENCE standard compound; INTERNAL_ID 1114; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9337; ORIGINAL_PRECURSOR_SCAN_NO 9336 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3062
4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone
4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone is considered to be slightly soluble (in water) and relatively neutral
4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone
4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone is classified as a member of the Aryl alkyl ketones. Aryl alkyl ketones are ketones have the generic structure RC(=O)R, where R = aryl group and R=alkyl group. 4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone is considered to be slightly soluble (in water) and relatively neutral
4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone
4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone, also known as NNK-N-Oxide, is classified as a member of the Aryl alkyl ketones. Aryl alkyl ketones are ketones have the generic structure RC(=O)R, where R = aryl group and R=alkyl group. 4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone is considered to be practically insoluble (in water) and relatively neutral
N-acetyltyrosine
N-Acetyl-L-tyrosine or N-Acetyltyrosine, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-Acetyltyrosine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetyltyrosine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-tyrosine. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins by specific hydrolases. N-terminal acetylation of proteins is a widespread and highly conserved process in eukaryotes that is involved in protection and stability of proteins (PMID: 16465618). About 85\\\% of all human proteins and 68\\\% of all yeast proteins are acetylated at their N-terminus (PMID: 21750686). Several proteins from prokaryotes and archaea are also modified by N-terminal acetylation. The majority of eukaryotic N-terminal-acetylation reactions occur through N-acetyltransferase enzymes or NAT’s (PMID: 30054468). These enzymes consist of three main oligomeric complexes NatA, NatB, and NatC, which are composed of at least a unique catalytic subunit and one unique ribosomal anchor. The substrate specificities of different NAT enzymes are mainly determined by the identities of the first two N-terminal residues of the target protein. The human NatA complex co-translationally acetylates N-termini that bear a small amino acid (A, S, T, C, and occasionally V and G) (PMID: 30054468). NatA also exists in a monomeric state and can post-translationally acetylate acidic N-termini residues (D-, E-). NatB and NatC acetylate N-terminal methionine with further specificity determined by the identity of the second amino acid. N-acetylated amino acids, such as N-acetyltyrosine can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618). In addition to the NAT enzymes and protein-based acetylation, N-acetylation of free tyrosine can also occur. Many N-acetylamino acids, including N-acetyltyrosine are classified as uremic toxins if present in high abundance in the serum or plasma (PMID: 26317986; PMID: 20613759). Uremic toxins are a diverse group of endogenously produced molecules that, if not properly cleared or eliminated by the kidneys, can cause kidney damage, cardiovascular disease and neurological deficits (PMID: 18287557). N-Acetyl-L-tyrosine, has also been associated with several inborn metabolic disorders including tyrosinemia I and aromatic l-amino acid decarboxylase deficiency. N-acetyltyrosine, is used in place of as a tyrosine precursor and administered as a source of nutritional support where oral nutrition is inadequate or cannot be tolerated (PMID: 14621123). N-acetyltyrosine has also been identified as an endogenous stress response factor. Under stress conditions, mitochondria release low levels of reactive oxygen species (ROS), which triggers a cytoprotective response, called "mitohormesis". N-acetyltyrosine has recently been identified as an intrinsic triggering factor of mitohormesis in stressed animals (PMID: 32118349). Interventions and small molecules, which promote formation of reactive oxygen species (ROS), have been shown to increase stress resistance and lifespan of different model organisms. These phenotypes occur only in response to low concentrations of ROS, while higher concentrations of ROS exert opposing effects. In this regard, a stress-dependent increase in N-acetyltyrosine was recently found to occur in insect larvae that had endured high temperatures (i.e. thermal stress). N-acetyltyrosine treatment has also been demonstrated to induce thermotolerance in several tested insect species. N-acetyltyrosine has been identified in the serum of humans as well as mice, and its concentration in mice was shown to be increased by heat s... Acetyltyrosine is a side chain reaction of tyrosine. It converts to tyrosine and then can be used in neurotransmitter treatment as a precursor of cathecholamine (http://www.neuroassist.com/). [HMDB] N-Acetyl-L-tyrosine originates from tyrosine through an AA acetylase, is associated with aromatic L-amino acid decarboxylase deficiency and tyrosinemia I.
Norketamine
Norketamine is the main metabolite of Ketamine. Ketamine is a drug used in human and veterinary medicine, primarily for the induction and maintenance of general anesthesia, usually in combination with a sedative. When administered orally, it undergoes first-pass metabolism, where it is biotransformed in the liver by CYP3A4 (major), CYP2B6 (minor), and CYP2C9 (minor) isoenzymes into norketamine (through N-demethylation) and finally dehydronorketamine. (Wikipedia)
Salsolinol 1-carboxylate
Salsolinol-1-carboxylic acid is an intermediate metabolite formed during the synthesis with dopamine and pyruvate towards the endogenous neurotoxin, 1-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline (salsolinol),which has been considered a potential causative factor for Parkinsons disease (PD). Salsolinol-1-carboxylic acid can be directly metabolized by an unknown enzyme to salsolinol or at first to 1,2-dehydrosalsolinol and then to salsolinol. Salsolinol-1-carboxylic acid is an intermediate metabolite formed during the synthesis with dopamine and pyruvate towards the endogenous neurotoxin, 1-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline (salsolinol),which has been considered a potential causative factor for Parkinsons disease (PD)
2-hydroxyphenylpropionylglycine
2-Hydroxyphenylpropionylglycine is classified as a member of the N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 2-Hydroxyphenylpropionylglycine is considered to be practically insoluble (in water) and acidic.
3-hydroxyphenylpropionylglycine
3-Hydroxyphenylpropionylglycine is classified as a member of the N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 3-Hydroxyphenylpropionylglycine is considered to be practically insoluble (in water) and acidic.
4-hydroxyphenylpropionylglycine
4-Hydroxyphenylpropionylglycine is classified as a member of the N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 4-Hydroxyphenylpropionylglycine is considered to be practically insoluble (in water) and acidic.ÂÂ
5-hydroxyphenylpropionylglycine
5-Hydroxyphenylpropionylglycine is classified as a member of the N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 5-Hydroxyphenylpropionylglycine is considered to be practically insoluble (in water) and acidic.
6-hydroxyphenylpropionylglycine
6-Hydroxyphenylpropionylglycine is classified as a member of the N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 6-Hydroxyphenylpropionylglycine is considered to be practically insoluble (in water) and acidic.ÂÂ
Salsolinol-1-carboxylic acid
N-(2-Methylacryloyl)-L-histidine
Benzo[d][2]benzazepine-5,7-dione
1-(2,2-Difluoroethyl)pyrrolidine-3,4-dicarboxylic acid
Tiletamine Hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
4,6-Dimethyl-1-nitro-4-(trifluoromethyl)cyclohexene
5-(hydroxymethyl)-4-(4-methoxyphenyl)oxazolidin-2-one
TILETAMINE
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
MEPHENOXALONE
C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics
Fast Red AL
http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 10
(4aS,7aS)-methyl 7-(hydroxymethyl)-1-oxo-2,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate|gardenamide|gardenamide A
2-Amino-5,8-dimethylpteridine-4,6,7(3H,5H,8H)-trione
3,9-Dihydro-1,3,9-trimetyl-8-nitroso-1H-purine-2,6-dione
Oxychloroaphine
Oxychloroaphine could be isolated from the bacterium Pantoea agglomerans naturally present in soil. Oxychloroaphine has broad-spectrum antifungal activity. Oxychloroaphine has cytotoxicity in a dose-dependent manner and induces apoptosis. Oxychloroaphine can be used in research of cancer[1][2]. Oxychloroaphine could be isolated from the bacterium Pantoea agglomerans naturally present in soil. Oxychloroaphine has broad-spectrum antifungal activity. Oxychloroaphine has cytotoxicity in a dose-dependent manner and induces apoptosis. Oxychloroaphine can be used in research of cancer[1][2].
2-Propenamide, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)-
5-hydroxy-6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one
N,N-dihydroxytrihomomethionine
An N,N-dihydroxy-alpha-amino acid having a 6-thiaheptyl substituent at the 2-position.
MONOCROTOPHOS
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D009676 - Noxae > D009153 - Mutagens D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 3133
N-Acetyl-L-tyrosine
An N-acetyltyrosine in which the chiral centre has L configuration. N-Acetyl-L-tyrosine originates from tyrosine through an AA acetylase, is associated with aromatic L-amino acid decarboxylase deficiency and tyrosinemia I.
Fadrozole
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 759; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5528; ORIGINAL_PRECURSOR_SCAN_NO 5526 CONFIDENCE standard compound; INTERNAL_ID 759; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5562; ORIGINAL_PRECURSOR_SCAN_NO 5560 CONFIDENCE standard compound; INTERNAL_ID 759; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9316; ORIGINAL_PRECURSOR_SCAN_NO 9313 CONFIDENCE standard compound; INTERNAL_ID 759; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9316; ORIGINAL_PRECURSOR_SCAN_NO 9314 CONFIDENCE standard compound; INTERNAL_ID 759; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9337; ORIGINAL_PRECURSOR_SCAN_NO 9336 CONFIDENCE standard compound; INTERNAL_ID 759; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9352; ORIGINAL_PRECURSOR_SCAN_NO 9351
Acetyl-L-tyrosine
N-Acetyl-L-tyrosine originates from tyrosine through an AA acetylase, is associated with aromatic L-amino acid decarboxylase deficiency and tyrosinemia I.
Ethyl 7-hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylate
2,4-DIAMINO-6-(METHACRYLOYLOXY)ETHYL-1,3,5-TRIAZINE
N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-3-methylbutanamide
(5-(Cyclopropylcarbamoyl)-2-fluorophenyl)boronic acid
methyl 2-amino-6-fluoro-3,4-dihydro-1H-naphthalene-2-carboxylate
1,3,5-Triazine-2,4-diamine,N2-phenyl-, hydrochloride (1:1)
6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-1-THIONE
3-Pyridinecarbonitrile,1,2-dihydro-4-(methoxymethyl)-6-methyl-5-nitro-2-oxo-
5-(2-METHYL-3-FURYL)-4-PROPYL-4H-1,2,4-TRIAZOLE-3-THIOL
1-(2-CHLORO-4-FLUOROPHENYL)CYCLOPENTANECARBONITRILE
6-(furan-2-yl)pyridine-2-carboximidamide,hydrochloride
4-(furan-3-yl)pyridine-2-carboximidamide,hydrochloride
4-(furan-2-yl)pyridine-2-carboximidamide,hydrochloride
3-METHYL-1-OXO-1,5-DIHYDRO-BENZO[4,5]IMIDAZO[1,2-A]PYRIDINE-4-CARBONITRILE
5-METHYL-1-PHENYL-(1H-PYRAZOL-4-YLMETHYL)AMINE HYDROCHLORIDE
3-AMINO-3-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-PROPIONIC ACID
5H-Dibenzo[a,d]cyclohepten-5-one,10,11-dihydro-, oxime
1-(2-CHLORO-6-FLUOROPHENYL)CYCLOPENTANECARBONITRILE
7-FLUORO-8-METHYL-5-NITRO-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
5-(furan-2-yl)pyridine-2-carboximidamide,hydrochloride
5-(hydroxymethyl)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
2-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetic acid
1-Propanone,3-chloro-1-(3,4-dihydro-2(1H)-isoquinolinyl)-
3H-1,2,4-Triazol-3-one,4-(4-chlorophenyl)-2,4-dihydro-2,5-dimethyl-
tert-butyl N-[(1S,2S)-3-chloro-2-hydroxy-1-methyl-propyl]carbamat e
(4-(Cyclopropylcarbamoyl)-3-fluorophenyl)boronic acid
4,7-Methano-2H-isoindole-2-aceticacid, octahydro-1,3-dioxo-
7-acetyl-2,4-dimethyl-2,4,7,8,9-pentazabicyclo[4.3.0]nona-8,10-diene-3,5-dione
(6-(Dimethoxymethyl)furo[3,2-b]pyridin-2-yl)methanol
1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxylic acid
2,4-Difluoro-alpha-(1H-1,2,4-triazolyl)acetophenone
(4-CYCLOPROPYL-6-TRIFLUOROMETHYL-PYRIMIDIN-2-YL)-HYDRAZINE
1-BENZYL-1H-BENZOIMIDAZOL-5-YLAMINE TRIHYDROCHLORIDE
1-(4-Fluorophenylcarbamoyl)cyclopropanecarboxylic acid
4-METHYL-2-MORPHOLIN-4-YL-PYRIMIDINE-5-CARBOXYLIC ACID
1,2,3,4-TETRAHYDRO-7-HYDROXY-6-METHOXY-3-ISOQUINOLINECARBOXYLIC ACID
5-FLUORO-3-(4-HYDROXY-BUTYL)-1,3-DIHYDRO-INDOL-2-ONE
(4-((3-HYDROXYPROPYL)CARBAMOYL)PHENYL)BORONIC ACID
1-ISOPROPYL-1H-1,2,3-BENZOTRIAZOLE-5-CARBONYL CHLORIDE
2,2-DIMETHYL-6-NITRO-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid
4-[(Cyclopropylcarbonyl)amino]-3-fluorobenzoic acid
Ethyl 4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate
5-(5-CHLORO-2-METHOXY-PHENYL)-2H-PYRAZOL-3-YLAMINE
(4-(cyclopropylcarbamoyl)-2-fluorophenyl)boronic acid
1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
N-METHOXY-N-METHYL-2,3-DIHYDROBENZO[B][1,4]DIOXINE-2-CARBOXAMIDE
1-(2-methoxyethyl)-3-piperidinecarboxylic acid(SALTDATA: HCl)
2-AMINO-4-(2,4-DIFLUOROPHENYLAMINO)-1,3,5-TRIAZINE
3-(2-fluorophenyl)-5-methyl-4,5-dihydroisoxazole-5-carboxylic acid(SALTDATA: FREE)
1-(2-FLUORO-BENZOYLAMINO)-CYCLOPENTANECARBOXYLICACID
2-ACETAMIDO-2,4-DIDEOXY-4-FLUORO-ALPHA-D-GLUCOPYRANOSE
1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
2-CHLORO-1-(3,4-DIHYDRO-2H-QUINOLIN-1-YL)-PROPAN-1-ONE
methyl 4-(3-fluorophenyl)pyrrolidine-3-carboxylate
1-(4-FLUOROPHENYL)-3-METHYLTHIO-5-PHENYL-1H-PYRAZOLE
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanoic acid
(E)-1-(5-Chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-hydroxym ethanimine
(2S,4R)-4-(2-Fluorobenzyl)pyrrolidine-2-carboxylic acid
1H-Pyrazole-4-carboxylicacid,5-amino-1-methyl-3-(methylthio)-,hydrazide(9CI)
Methyl 5-amino-4-fluoro-1-methyl-1H-benzimidazole-6-carboxylate
Ethyl2,4-dioxo-1,2,3,4-tetrahydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
(S)-1-(4-PHENYL-1H-IMIDAZOL-2-YL)ETHANAMINE HYDROCHLORIDE
1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone
Piperidine, 3-(1H-pyrazol-3-yl)-, hydrochloride (1:2)
3-(4-fluorophenyl)-5-methyl-4,5-dihydroisoxazole-5-carboxylic acid(SALTDATA: FREE)
2-phenylthiazolidine-4-carboxylic acid methyl ester
3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Methyl 1-amino-4-methoxycyclohexanecarboxylate hydrochloride
(2S,4R)-4-(4-Fluorobenzyl)pyrrolidine-2-carboxylic acid
4-Amino-2-(1-piperazinyl)-5-pyrimidinecarboxylic acid
3-(4-HYDROXY-1,1-DIOXO-TETRAHYDRO-1LAMBDA6-THIOPHEN-3-YLAMINO)-PROPIONIC ACID
ETHYL 8-AMINO-2,3-DIHYDROBENZO[1,4]DIOXINE-5-CARBOXYLATE
(4-((1H-PYRAZOL-1-YL)METHYL)PHENYL)METHANAMINE HYDROCHLORIDE
Imafen hydrochloride
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid
3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid
trans-Sinapate
A member of the class of cinnamates that is the conjugate base of trans-sinapic acid.
Olivetolate
A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of olivetolic acid. The major species at pH 7.3. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
2-Amino-6-hydroxymethyl-7,7-dimethyl-7,8-dihydropteridin-4-one
A dihydropterin that is 2-amino-6-hydroxymethyl-7,8-dihydropteridin-4-one with two methyl substituents at position 7.
(2S)-2-(dihydroxyamino)-7-(methylsulfanyl)heptanoic acid
2-Amino-6-[1-hydroxyethyl]-7-methyl-7,8-dihydropterin
Pulicatin A
A natural product found in Streptomyces speciesCP32 and Streptomyces species.
4-Methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid methyl ester
7-Methyloctyl sulfate
An organosulfate oxoanion that is the conjugate base of 7-methyloctyl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.
2,6-Dimethylheptyl sulfate
An organosulfate oxoanion that is the conjugate base of 2,6-dimethylheptyl hydrogen sulfate.
(2R)-2,6-dimethylheptyl sulfate
The (R)-enantiomer of 2,6-dimethylheptyl sulfate. It has been isolated from Daphnia pulex.
(2S)-2,6-dimethylheptyl sulfate
The (S)-enantiomer of 2,6-dimethylheptyl sulfate. It has been isolated from Daphnia pulex.
[N,N-bis(2-aminoethyl)propane-1,3-diamine]copper(2+)
4-N-Hydroxyiminomethyl-2,5-dimethoxy-6-methyltropone
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone
4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone
4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone
bendiocarb
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
N-Acetyltyrosine
An N-acetyl-amino acid that is tyrosine with an amine hydrogen substituted by an acetyl group.
2-amino-6-(1-hydroxyethyl)-7-methyl-7,8-dihydropteridin-4-one
A dihydropterin that is 7,8-dihydropteridin-4-one substituted at positions 2, 6 and 7 by amino, 1-hydroxyethyl and methyl groups respectively.
(4s,5s,6z,9r,11s)-6-ethylidene-5,9-dihydroxy-3-oxa-1-azatricyclo[5.3.1.0⁴,¹¹]undec-7-en-2-one
1-(4-hydroxy-2-imino-1,6,7,8-tetrahydropteridin-5-yl)propan-1-one
methyl 1-hydroxy-7-(hydroxymethyl)-4ah,5h,7ah-cyclopenta[c]pyridine-4-carboxylate
(4r,5r)-5-(hydroxymethyl)-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-ol
trimethylpyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
2-Acridinecarboxylic acid
{"Ingredient_id": "HBIN005141","Ingredient_name": "2-Acridinecarboxylic acid","Alias": "acridine-2-carboxylic acid; BRN 0173258; Acridine-3-carboxylic acid; 54328-73-3; 4-22-00-01323 (Beilstein Handbook Reference)","Ingredient_formula": "C14H9NO2","Ingredient_Smile": "C1=CC=C2C(=C1)C=C3C=C(C=CC3=N2)C(=O)O","Ingredient_weight": "223.23","OB_score": "72.85846212","CAS_id": "54328-73-3","SymMap_id": "SMIT10841","TCMID_id": "NA","TCMSP_id": "MOL009755","TCM_ID_id": "NA","PubChem_id": "3041556","DrugBank_id": "NA"}
