Exact Mass: 190.04129220000002

CONFIDENCE standard compound; INTERNAL_ID 2518 CONFIDENCE standard compound; INTERNAL_ID 8294 CONFIDENCE standard compound; INTERNAL_ID 37 D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens

Carglumic acid

(2S)-2-(Carbamoylamino)pentanedioic acid

Carglumic acid is an orphan drug used for the treatment of hyperammonaemia in patients with N-acetylglutamate synthase deficiency. This rare genetic disorder results in elevated blood levels of ammonia, which can eventually cross the blood-brain barrier and cause neurologic problems, cerebral edema, coma, and death. Carglumic acid was approved by the U.S. Food and Drug Administration (FDA) on 18 March 2010. A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AA - Amino acids and derivatives C78275 - Agent Affecting Blood or Body Fluid KEIO_ID C078

3-Dehydroquinic acid

(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylic acid

3-Dehydroquinic acid belongs to the class of organic compounds known as alpha-hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon. 3-Dehydroquinic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). In most organisms, 3-dehydroquinic acid is synthesized from D-erythrose-4-phosphate in two steps. However, archaea genomes contain no orthologs for the genes that encode these first two steps. Instead, archaeabacteria appear to utilize an alternative pathway in which 3-dehydroquinic acid is synthesized from 6-deoxy-5-ketofructose-1-phosphate and L-aspartate-semialdehyde. These two compounds are first condensed to form 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate, which cyclizes to 3-dehydroquinic acid. From 3-dehydroquinic acid and on to chorismate, the archaeal pathway appears to be identical to the bacterial pathway. In most organisms, 3-dehydroquinate is synthesized from D-erythrose-4-phosphate in two steps . However, the genomes of the archaea contain no orthologs for the genes that encode these first two steps. Instead, archaeabacteria appear to utilize an alternative pathway in which 3-dehydroquinate is synthesized from 6-deoxy-5-ketofructose-1-phosphate and L-aspartate-semialdehyde . These two compounds are first condensed to form 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate , which cyclizes to 3-dehydroquinate . From 3-dehydroquinate and on to chorismate , the archaeal pathway appears to be identical to the bacterial pathway [HMDB]. 3-Dehydroquinate is found in many foods, some of which are allium (onion), cashew nut, american cranberry, and common wheat.

Naphthazarin

InChI=1\C10H6O4\c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10\h1-4,11-12

A naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 5 and 8 are replaced by hydroxy groups. D000970 - Antineoplastic Agents

4-Hydroxy-4-methyl-2-oxoadipate

4-Hydroxy-4-methyl-2-oxohexanedioic acid

3,5-Dihydroxy-1,4-naphthoquinone

4-Hydroxy-2-oxoheptanedioic acid

2,4-dihydroxy-2-heptenedioc acid

2,4-Dihydroxyhept-2-enedioic acid

L-alpha-Amino-gamma-oxalylaminobutyric acid

2-Amino-4-((carboxycarbonyl)amino)butanoic acid, (2S)-

A monocarboxylic acid amide obtained by the formal condensation of the amino group at position 4 of L-2,4-diaminobutyric acid with the carboxy group of oxalic acid.

7-Ethoxycoumarin

7-ethoxy-2H-1-benzopyran-2-one

7-Ethoxycoumarin is a substrate for cytochrome P450(CYP450) and has been used in the functional characterization of various CYPs[1]. 7-Ethoxycoumarin is a substrate for cytochrome P450(CYP450) and has been used in the functional characterization of various CYPs[1].

1,2-Dihydroxy-7-hydroxymethylnaphthalene

1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid

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

2-Keto-5-epi-valiolone

Coixinden A

3,5-Dimethoxy-1H-inden-1-one

Constituent of Coix lacrima-jobi variety ma-yuen. Coixinden A is found in tea, alcoholic beverages, and coffee and coffee products. Coixinden A is found in alcoholic beverages. Coixinden A is a constituent of Coix lacrima-jobi var. ma-yuen.

Ayapin

2H,6H-[1,3]dioxolo[4,5-g]chromen-6-one

Ayapin belongs to coumarins and derivatives class of compounds. Those are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Ayapin is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ayapin can be found in sunflower, which makes ayapin a potential biomarker for the consumption of this food product.

8H-1,3-Dioxolo[4,5-h][1]benzopyran-8-one

8H-1,3-dioxolo[4,5-H][1]Benzopyran-8-one, 9ci

8H-1,3-Dioxolo[4,5-h][1]benzopyran-8-one is found in green vegetables. 8H-1,3-Dioxolo[4,5-h][1]benzopyran-8-one is a constituent of Apium graveolens. Constituent of Apium graveolens. 8H-1,3-Dioxolo[4,5-h][1]benzopyran-8-one is found in green vegetables.

Avenalumic acid

(2E,4E)-5-(4-hydroxyphenyl)penta-2,4-dienoic acid

Avenalumic acid is found in cereals and cereal products. Avenalumic acid is a constituent of oats (Avena sativa). Constituent of oats (Avena sativa). Avenalumic acid is found in oat and cereals and cereal products.

L-beta-aspartyl-L-glycine

2-Amino-3-[(carboxymethyl)-C-hydroxycarbonimidoyl]propanoate

L-beta-aspartyl-l-glycine is a proteolytic breakdown product of larger proteins. It belongs to the family of Acyl Glycines. These are organic compounds containing a glycine residue with the N-atom attached to another moiety through an N-ester bond. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB]

Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate

Methyl (2E,8E)-10-hydroxydeca-2,8-dien-4,6-diynoic acid

Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate is found in mushrooms. Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate is isolated from Camarophyllus virgineus (snowy waxcap). Isolated from Camarophyllus virgineus (snowy waxcap). Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate is found in mushrooms.

Coumarin-4-carboxylic acid

2-Oxo-2H-chromene-4-carboxylic acid

Coumarin-4-carboxylic acid is found in herbs and spices. Coumarin-4-carboxylic acid occurs in Salvia triloba (Greek sage). Occurs in Salvia triloba (Greek sage). Coumarin-4-carboxylic acid is found in tea and herbs and spices.

7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one

7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one is found in green vegetables. 7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one is a constituent of Rheum sp. (rhubarb). Constituent of Rheum species (rhubarb). 7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one is found in green vegetables.

7-Methoxy-6-methyl-2H-1-benzopyran-2-one

7-Methoxy-6-methyl-2H-1-benzopyran-2-one is found in herbs and spices. 7-Methoxy-6-methyl-2H-1-benzopyran-2-one is a constituent of Trachyspermum roxburghianum (Bishops weed). Constituent of Trachyspermum roxburghianum (Bishops weed). 7-Methoxy-6-methyl-2H-1-benzopyran-2-one is found in herbs and spices.

(S)-2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone

5-hydroxy-2-methyl-1,2,3,4-tetrahydronaphthalene-1,4-dione

(S)-2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone is found in nuts. (S)-2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone is a constituent of Juglans nigra (black walnut). Constituent of Juglans nigra (black walnut). (S)-2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone is found in nuts.

6-Formylumbelliferone

7-hydroxy-2-oxo-2H-chromene-6-carbaldehyde

6-Formylumbelliferone is found in citrus. 6-Formylumbelliferone is a constituent of Citrus medica (citron). Constituent of Citrus medica (citron). 6-Formylumbelliferone is found in citrus.

Aspartyl-Glycine

3-Amino-3-[(carboxymethyl)-C-hydroxycarbonimidoyl]propanoate

Aspartyl-Glycine is a dipeptide composed of aspartate and glycine. 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.

Nitroxoline

Nitroxoline, potassium salt

Nitroxoline is only found in individuals that have used or taken this drug. It is a urinary antibacterial agent active against susceptible gram-positive and gram-negative organisms commonly found in urinary tract infections. It is a fluorquinolone that is active against bacterial gyrases.This drug may also have antitumor activity by inhibition of ype 2 methionine aminopeptidase (MetAP2) protein which is involved in angiogenesis. Its antibacterial activity may stem from the metal ion complexation vital for bacterial growth. C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents

Glycyl-Aspartate

2-[(2-Amino-1-hydroxyethylidene)amino]butanedioate

Glycyl-Aspartate is a dipeptide composed of glycine and aspartate. 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.

5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal

(2E)-5-(Methylsulphanyl)-2-[(methylsulphanyl)methyl]pent-2-enal

5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal is found in garden tomato. 5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal is a flavouring ingredient and antioxidant. 5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal is present in tomato juice and hydrolysed vegetable protein. 5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal is a flavouring ingredient and antioxidant. It is found in tomato juice and hydrolysed vegetable protein.

2-Hydroxy-2-(2-oxopropyl)butanedioic acid

2-Hydroxy-2-(2-oxopropyl)butanedioic acid belongs to the family of Medium-chain Keto Acids and Derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.

N-carbamoylglutamic Acid

2-[(C-hydroxycarbonimidoyl)amino]pentanedioic acid

N-carbamoylglutamic Acid, also known as N-Carbamoylglutamate, is classified as a glutamic acid or a Glutamic acid derivative. Glutamic acids are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. N-carbamoylglutamic Acid is considered to be soluble (in water) and acidic

2-O-Methylascorbic acid

(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2,5-dihydrofuran-2-one

C7H10O6 (190.047736)

2-O-Methylascorbic acid (2-O-MA) is a derivative of vitamin C (ascorbic acid). The enzyme catechol-O-methyltransferase catalyzes the methylation of L-ascorbic acid into 2-O-methylascorbic acid (PMID: 7129800). 2-O-Methylascorbic acid belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. 2-O-Methylascorbic acid has been identified in urine and was found to be higher in older women than in younger women (PMID: 28813537).

1,1'-Oxalyldiimidazole

bis(1H-imidazol-1-yl)ethane-1,2-dione

4-(Trifluoromethyl)benzoic acid

alpha,alpha,alpha-Trifluoro-p-toluic acid

Chromocarb

4-oxo-4H-1-Benzopyran-2-carboxylic acid

C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent

4-Methyl-1-homopiperazinedithiocarboxylic acid

C7H14N2S2 (190.0598364)

1-Nitro-3,5-dinitroso-1,3,5-triazinane

Hexahydro-1,3-dinitroso-5-nitro-1,3,5-triazine

C3H6N6O4 (190.0450516)

5,8-Dihydroxy-1,4-naphthoquinone

5,8-dihydroxy-1,4-dihydronaphthalene-1,4-dione

D000970 - Antineoplastic Agents

KBio1_001356

2(1H)-Benzopyran-2-one, 7-methoxy-4-methyl

7-methoxy-4-methyl-1-benzopyran-2-one is a member of coumarins.

relative retention time with respect to 9-anthracene Carboxylic Acid is 0.928 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.924

6,8-DIMETHYL-4-HYDROXYCOUMARIN

5-benzoyloxolan-2-one

2,4,6-decatriynedioic acid, 9CI|Deca-2,4,6-triin-disaeure|Decatriin-2,4,6-dicarbonsaeure-1,10|Octatriin-1,3,5-dicarbonsaeure-1,8

SCHEMBL10701975

7-Formylcyclopenta[c]pyran-4-carboxylic acid

2,8-dihydroxy-1,4-naphthoquinone

8-methoxy-4-methylcoumarin

5-hydroxy-7-(prop-2-en-(E)-ylidene)-7,7a-dihydro-2H-cyclopenta[b]pyran-6-one

ACMC-20n6bh

5-Hydroxy-2,7-dimethyl-4H-1-benzopyran-4-one

7-Methyl-1,4,5-naphthalenetriol

2,5-Dihydroxynaphthalene-1,4-dione

7-Methyldihydrojuglone

C11H10O3

Methyl 7-methylcyclopenta[c]pyran-4-carboxylate

6,7-Methylendioxychromon

5-Acetyl-7-methoxybenzofuran

8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one

2,8-Decadiene-4,6-diynedioic acid-(E,E)-form|Deca-2t,8t-dien-4,6-diindisaeure|deca-2t,8t-diene-4,6-diynedioic acid|Decadien-2t,8t-diin-4,6-dicarbonsaeure-1,10|Decadien-2t,8t-diin-4,6-disaeure-1,10

C6H11ClN4O (190.06213459999998)

Girolline

A natural product found in Cymbastela cantharella and Axinella brevistyla.

L-Glutamic acid-??-methylamide

8-methoxy-2-methyl-4H-1-benzopyran-4-one

11-methoxyviburtinal

4,8-dihydroxy-6-methyl-4H-naphthalen-1-one

3,5-dimethyl-7-carboxybenzofuran

SCHEMBL10795110

2-acetoxycinnamaldehyde

SCHEMBL6699487

Dealanylalahopcin

Tetrahydro-thiopyran-2,6-dicarbonsaeure|tetrahydro-thiopyran-2,6-dicarboxylic acid

5-Methoxy-2-methyl-4H-chromen-4-one

1-(5-Benzofuranyl)-2-hydroxy-1-propanone

CHEMBL400450

2-Acetyl-7-methoxybenzofuran

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

(+)-Harveynone|(2R,3S,4S)-2,3-Epoxy-4-hydroxy-6-(3-methylbut-3-en-1-ynyl)-5-cyclohexen-1-one

5-hydroxy-1-(3-methyl-3-buten-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one

Reduced plumbagin

7-Hydroxy-2,3-dimethylchromone

5,6-Dihydro-6-(4-hydroxyphenyl)-2H-pyran-2-one

2-Methoxy-5-methylchromon

8-formyl-7-hydroxycoumarin

2-Amino-5-methyl-4-phenylthiazole

2-[(2-methylsulfanyl)ethyl]maleate

4-Nitroquinoline-N-oxide

Ureidoglutaric acid

4-Nitroquinoline 1-oxide

D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens

3-(Trifluoromethyl)benzoic acid

3-(trifluoromethyl)-Benzoic acid

CONFIDENCE standard compound; INTERNAL_ID 531; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4456; ORIGINAL_PRECURSOR_SCAN_NO 4452 CONFIDENCE standard compound; INTERNAL_ID 531; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4463; ORIGINAL_PRECURSOR_SCAN_NO 4461 CONFIDENCE standard compound; INTERNAL_ID 531; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4428; ORIGINAL_PRECURSOR_SCAN_NO 4426 CONFIDENCE standard compound; INTERNAL_ID 531; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4454; ORIGINAL_PRECURSOR_SCAN_NO 4453 CONFIDENCE standard compound; INTERNAL_ID 531; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4452; ORIGINAL_PRECURSOR_SCAN_NO 4451 CONFIDENCE standard compound; INTERNAL_ID 531; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4437; ORIGINAL_PRECURSOR_SCAN_NO 4436

4-nitroquinoline 1-oxide_major

Asp Gly

Gly Asp

5-methyl-4-phenyl-2-thiazolamine

5-Methyl-4-phenyl-1,3-thiazol-2-amine

b-Asp-Gly

L-β-aspartyl-L-glycine

4-hydroxy-2-oxo-Heptanedioic acid

Nitroxoline

5-Nitroks;5-Nitrox;5-Nitroxine;5-NOK;Nitroxolina [inn-spanish];Nitroxolinum [inn-latin]

A monohydroxyquinoline in which the hydroxy group is positioned at C-8 with a nitro group trans to it at C-5. C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents

Asp-gly

2-(2-aminoacetamido)butanedioic acid

A dipeptide composed of L-aspartic acid and glycine joined by a peptide linkage.

Gly-asp

3-amino-3-[(carboxymethyl)carbamoyl]propanoic acid

A dipeptide formed from glycyl and L-aspartic acid residues.

Coumarin-4-carboxylic acid

2-Oxo-2H-chromene-4-carboxylic acid

methialdol

(2E)-5-(methylsulfanyl)-2-[(methylsulfanyl)methyl]pent-2-enal

7,8-Methylenedioxycoumarin

8H-1,3-dioxolo[4,5-H][1]Benzopyran-8-one, 9ci

6-Formylumbelliferone

7-hydroxy-2-oxo-2H-chromene-6-carbaldehyde

Prevan

2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium

FA 10:7;O2

Deca-2,4,6-triynedioic acid

FA 7:2;O4

(4R,5S)-4,5-dihydroxy-2,6-dioxoheptanoic acid;3,7-dideoxy-D-threo-hepto-2,6-diuolosonic acid

2-methyl-4-phenylthiazol-5-ylamine

4-(4-Chlorophenyl)pyrimidine

4-nitro-1H-indole-3-carbaldehyde

5-Phenyl-1,2,4-oxadiazole-3-carboxylic acid

3-(2H-tetrazol-5-yl)benzoic acid

2,3,5-Trifluorophenylacetic acid

(2-Bromoethyl)cyclohexane

2-(2-Thenyl)phenol

6-Fluoro-2-naphthoic acid

2-Cyano-6-methoxybenzothiazole

2-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-

5-FLUORO-2-PYRAZOL-1-YL-BENZALDEHYDE

C5H11NaO4S (190.02757259999998)

sodium n-pentyl sulphate

H-Gly-Asp-OH

Glycyl-L-aspartic acid

1,2,4-Butanetricarboxylic acid

(r)-1-[2-(trifluoromethyl)phenyl]ethanol

Methyl 2-methoxytetrafluoropropionate

4-OXO-3,4-DIHYDROPHTHALAZINE-1-CARBOXYLIC ACID

2-(3-NITROPHENYL)-2H-1,2,3-TRIAZOLE

5-nitroquinolin-6-ol

5-Chloro-2-phenylpyrimidine

5-Fluoromethylene-4-phenyl-5H-furan-2-one

2-(tetrazol-1-yl)benzoic acid

Coumarin-3-carboxylic acid

Sodium N-(2-aminoethyl)aminoethanesulfonate

C4H11N2NaO3S (190.0388056)

5-(4-NITROPHENYL)ISOXAZOLE

1H,3H-Thiazolo[3,4-a]benzimidazol-1-one(9CI)

1H-Imidazole-5-propanoic acid methyl ester

4-hydroxy-2-oxo-2h-chromene-3-carbaldehyde

1-(M-TOLYL)IMIDAZOLINE-2-THIONE

2-Amino-4,5,6,7-tetrahydrobenzothiazole Hydrochloride

3-(3-Nitrophenyl)-3-oxopropanenitrile

C6H11ClN4O (190.06213459999998)

Giracodazole

C254 - Anti-Infective Agent > C514 - Antifungal Agent

6-(Trifluoromethyl)nicotinamide

6-Nitro-1H-indole-3-carbaldehyde

[5-(2-PYRIDINYL)-2-THIENYL]METHYLAMINE

Thiazolo[4,5-h]isoquinoline, 6,7,8,9-tetrahydro- (9CI)

Potassium cyclohexyl(trifluoro)borate(1-)

C6H11BF3K (190.0542932)

(3S,7AR)-3-T-BUTYL-7A-METHYLBICYCLICLACTAM

1-phenylimidazolidine-2,4,5-trione

3,3-Difluorobiphenyl

1-(Methoxymethyl)-4-(trifluoromethyl)benzene

4-Hydroxycinnoline-3-carboxylic acid

4-(1,3-THIAZOL-2-YL)PHENYL]METHYLAMINE

4-(4-Nitrophenyl)oxazole

4-(TRIFLUOROMETHOXY)BENZALDEHYDE

2-(TRIFLUOROMETHYL)NICOTINAMIDE

7-NITROISOQUINOLIN-1(2H)-ONE

5-Acetyl-2-nitrobenzonitrile

2-Hydroxy-6-(trifluoromethyl)benzaldehyde

C5H11NaO4S (190.02757259999998)

Sulfuric acid,monopentyl ester, sodium salt (1:1)

1-[2-(trifluoromethyl)pyrimidin-4-yl]ethanone

5-amino-2-(trifluoromethyl)pyridine-4-carbaldehyde

1-(2-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde

1-(3-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde

2,2,3,3-tetrafluorobutyl carbonate

(4-TERT-BUTYL-BENZYL)-FURAN-2-YLMETHYL-AMINE

3-(2-METHYL-1,3-THIAZOL-4-YL)ANILINE

2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl-(9CI)

6-Chloroindole-3-acetonitrile

4-(TRIFLUOROACETAMIDO)PYRIDINE

5-Nitro-1H-indole-3-carbaldehyde

(2-MORPHOLIN-4-YLMETHYL-BENZOIMIDAZOL-1-YL)-ACETIC ACID

glycyl-d-aspartic acid

4-Oxo-4H-Pyrido[1,2-A]Pyrimidine-3-Carboxylic Acid

2,2,2-trifluoro-N-pyridin-2-yl-acetamide

5-Benzyl-thiazol-2-ylamine

5-Benzyl-1,3-thiazol-2-amine

5-(P-TOLYL)THIAZOL-2-AMINE

1-(Methoxymethyl)-2-(trifluoromethyl)benzene

1-(Methoxymethyl)-3-(trifluoromethyl)benzene

C7H6BF3O2 (190.04129220000002)

4-Trifluoromethylphenylboronic acid

1-(Bromomethyl)-1-methylcyclohexane

5-FLUORO-1-NAPHTHOIC ACID

C10H8BFO2 (190.06013500000003)

4-Fluoronaphtalene-1-boronic acid

(BROMOMETHYL)-CYCLOHEPTANE

1-Piperazinecarboxaldehyde, 4-(chloroacetyl)- (9CI)

2,3,6-Trifluorophenylacetic acid

3,4,5-Trifluorophenylacetic acid

5-Nitroquinolin-2(1H)-one

6H-Pyrazolo[3,4-g]benzothiazole,2-amino-(8CI)

C8H6N4S (190.0313156)

(4-THIEN-2-YLPHENYL)METHANOL

C7H6BF3O2 (190.04129220000002)

2-Trifluoromethylphenylboronic acid

Furil

C-(2-PHENYL-THIAZOL-5-YL)-METHYLAMINE

4-NITRO-ISOQUINOLIN-1-OL

4-Hydroxy-1,5-naphthyridine-3-carboxylicacid

Benzaldehyde, 3-fluoro-4-(1H-imidazol-1-yl)

2-(4-nitrophenyl)triazole

Methanetriacetic acid

7-Hydroxyfuro[4,3,2-de]chromen-4(2H)-one

2-[4-(Trifluoromethyl)phenyl]ethanol

4-(4-Methyl-phenyl)-1,3-dihydro-imidazole-2-thione

(3R,2S)-2,3-Diaminobutyric acid 2HCl

1-BENZYL-1H-IMIDAZOLE-2-THIOL

3-(Trifluoromethoxy)benzaldehyde

3-(2,4,5-TRIFLUORO-PHENYL)-PROPAN-1-OL

3-(3-nitrophenyl)-1,2-oxazole

2-thiophen-2-ylpyrimidine-5-carbaldehyde

C10H8BFO2 (190.06013500000003)

Boronic acid, (8-fluoro-2-naphthalenyl)- (9CI)

2,3-DIOXOINDOLINE-5-CARBOXAMIDE

5-(PYRIMIDIN-2-YL)THIOPHENE-2-CARBALDEHYDE

2,4,5-Trifluoro-3-methylbenzoic acid

5-(3-Fluorophenyl)-2-furancarboxaldehyde

1,3,5-O-METHYLIDYNE-MYO-INOSITOL

2,2,3,3,4,4,5,5-octadeuteriohexanedioyl dichloride

C6Cl2D8O2 (190.040350224)

4-OXO-4H-PYRIDO[1,2-A]PYRIMIDINE-2-CARBOXYLIC ACID, ETHYL ESTER

1-(Bromomethyl)-4-Methylcyclohexane

Adipic Acid Disodium Salt

C6H8Na2O4 (190.0217968)

3,4,6-Trifluoro-2-methylbenzoic acid

(2S-CIS)-5-(2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-3-HYDROXY-2-(4-METHOXYPHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE

2-Oxo-2H-chromene-6-carboxylic acid

4-amino-1-methyl-1h-pyrrole-2-carboxylic acid-methyl ester hcl

2-(4-Nitrophenyl)oxazole

6-Fluoro-1-naphthoic acid

D-2,4-Diaminobutyric acid dihydrochloride

6-nitroquinolin-8-ol

2-Chloro-4-phenylpyrimidine

5-(3-NITROPHENYL)-1,3-OXAZOLE

2-(4-methoxyphenyl)thiophene

(3S-CIS)-(-)-3-PHENYLTETRAHYDROPYRROLO-[2,1-B]-OXAZOL-5(6H)-ONE

4,5-DIHYDRO[1,2,5]OXADIAZOLO[3,4-F]CINNOLIN-3-IUM-3-OLATE

2,4-Difluorobiphenyl

5-(4-Pyridyl)isoxazole-3-carboxylic Acid

6-Nitroisoquinolin-1(2H)-one

4-Chloro-2,2-bipyridine

phenyl(thiophen-2-yl)methanol

1,3-DIOXOLANE-2,2-DIACETIC ACID

6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxylic acid(SALTDATA: FREE)

6-CHLORO-[3,4]-BIPYRIDINE

6-NITROQUINOLIN-2(1H)-ONE

7-hydroxy-4-oxochromene-3-carbaldehyde

3,5-Difluorobiphenyl

2-Hydroxy-5-(trifluoromethyl)benzaldehyde

2-(chloromethyl)indolizine-1-carbonitrile

calcium methoxyethoxide

C6H14CaO4 (190.0517954)

4-(1,2,3-THIADIAZOL-4-YL)BENZALDEHYDE

1-(2-Phenyl-1,3-thiazol-4-yl)methanamine

2,6-Dimethoxypyridin-3-amine hydrochloride

m-toluenesulfonic acid monohydrate

methyl (5-chloromethyl-dihydrofuran-2-ylidene)acetate

C8H11ClO3 (190.0396686)

1-(2-CHLOROETHYL) NAPHTHALENE

C12H11Cl (190.0549236)

2-Chloro-6-phenylpyrazine

2-Thiazolamine,4-methyl-N-phenyl-

1,4-Dithiaspiro[4.5]decan-8-ol

6-nitroquinoxalin-2-amine

2-Benzofurylglyoxylic acid

Ethyl 3-amino-1H-pyrrole-2-carboxylate hydrochloride

5-(2-Fluorophenyl)-2-furaldehyde

6-Chloro-2,2-bipyridine

2-[3-(Trifluoromethyl)phenyl]ethanol

3-(1H-TETRAAZOL-1-YL)BENZOIC ACID

1-(2-METHYLAMINOPROPYL)-3-ADAMANTANOLHYDROCHLORIDE

2H-Benzimidazole-2-thione,1,3-dihydro-1-(2-propenyl)-(9CI)

2-Thiazolamine,4-(4-methylphenyl)-

4-(1H-Tetrazol-5-yl)benzoic Acid

3-(2,4,6-TRIFLUORO-PHENYL)-PROPAN-1-OL

[4-(1,3,4-oxadiazol-2-yl)phenyl]boronic acid

C8H7BN2O3 (190.0549702)

(p-Nitrobenzoyl)acetonitrile

6-(4-FLUOROPHENYL)-3(2H)-PYRIDAZINONE

ADA

N-(2-Acetamido)iminodiacetic acid

2-Chloro-5-phenylpyrimidine

5-(2-NITROPHENYL)OXAZOLE

3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde

1-(4-Nitrophenyl)-1H-1,2,4-Triazole

Methyl 2,4,5-trifluorobenzoate

4-CHLORO-2-NITROBENZYLALCOHOL

2-Benzothiazolecarbonitrile,4-methoxy

5-Methoxy-2-benzothiazolecarbonitrile

3-METHYL-4-METHYLENE-3,4-DIHYDROQUINAZOLINE-2(1H)-THIONE

3-methyl-4-phenyl-1H-imidazole-2-thione

6-Methoxy-5,8-quinazolinedione

3-Chloro-6-phenylpyridazine

4-tetrazol-1-yl-benzoic acid

5-(3-Pyridyl)isoxazole-3-carboxylic Acid

7-Methoxy-2-benzothiazolecarbonitrile

2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid

4-chloro-6-phenylpyrimidine

2-Chloro-4,4-bipyridine

Thiazolo[3,2-a]benzimidazol-3(2H)-one

(r)-1-[3-(trifluoromethyl)phenyl]ethanol

4-(4-Nitrobenzyl)piperazine-1-carboxylic acid tert-butyl ester

7-nitroindole-3-carboxaldehyde

2-(1H-TETRAZOL-5-YL)BENZOIC ACID

1-(Chloroacetyl)-L-prolinamide

(3S,2S)-2,3-Diaminobutyric acid 2HCl

(5-PYRID-3-YLTHIEN-2-YL)METHYLAMINE

(S)-1-(3-(TRIFLUOROMETHYL)PHENYL)ETHANOL

Methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate

4-Formyl-1H-indazole-3-carboxylic acid

3-Formyl-1H-indazole-6-carboxylic acid

5-nitro-2H-isoquinolin-3-one

3-(2-Nitrophenyl)-3-oxopropanenitrile

8-Bromo-1-octene

6-hydroxy-4-oxochromene-3-carbaldehyde

5-(4-Fluorophenyl)-furan-2-carbaldehyde

(R)-3,4-DIAMINOBUTYRIC ACID DIHYDROCHLORIDE

2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone

4,4,5,5,5-PENTAFLUORO-3-METHYLPENT-1-ENE-3-OL

C6H7F5O (190.04170319999997)

2-hydroxy-3-(trifluoromethyl)benzaldehyde

C7H6BF3O2 (190.04129220000002)

3-(Trifluoromethyl)phenylboronic acid

2,4-Imidazolidinedione,5-(4-chlorobutyl)-

5-(4-Nitrophenyl)oxazole

2-chloro-3-phenylpyrazine

1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE

2-Amino-5-(trifluoromethyl)nicotinaldehyde

(S)-1-[2-(Trifluoromethyl)phenyl]ethanol

(R)-1-[4-(trifluoromethyl)phenyl]ethan-1-ol

2,3,5-Trifluoro-4-methylbenzoic acid

8-fluoronaphthalene-1-carboxylic acid

5-Chloro-2,2-bipyridine

trimethylmethane tricarboxylate

2-ETHYL-4-THIAZOL-2-YL-PYRIDINE

Bromocyclooctane

2-(5-chloro-1H-indol-3-yl)acetonitrile

2-[2-(Trifluoromethyl)phenyl]ethanol

4-(2-methyl-1,3-thiazol-4-yl)aniline

3,4-Dihydro-4-oxo-8-quinazolinecarboxylic acid

2-Thiazolamine,4-(2-methylphenyl)-

Naphthalene,1-(chloromethyl)-4-methyl-

C12H11Cl (190.0549236)

3,4-Dihydro-4-oxo-5-quinazolinecarboxylic acid

4-METHYL-3-PHENYLISOTHIAZOL-5-AMINE

2-PHENYL-1,1,1-TRIFLUOROPROPAN-2-OL

[3-(1,3-Thiazol-2-yl)phenyl]methylamine

2-(Trifluoromethyl)benzoic acid

(4-Chloro-1H-indol-3-yl)acetonitrile

(2,3,4-Trifluorophenyl)acetic acid

4-Hydroxy-3-(trifluoromethyl)benzaldehyde

(4-PHENYLTHIAZOL-2-YL)METHANAMINE

6-Nitro-5-quinolinol

(trifluoromethyl)benzoic acid

2,2,2-trifluoro-N-pyridin-3-ylacetamide

chromone-3-carboxylic acid

p-Toluenesulfonic acid monohydrate

1-(3-NITRO-2-PYRIDINYL)-2-PYRROLIDINECARBOXYLICACID

2,2-DIFLUOROBIPHENYL

Sodium 4-Hydroxy-3-methoxybenzoate

4-HYDROXY-3-METHOXYBENZOIC ACID SODIUM SALT

3-(3-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde

H-Gly-DL-Asp-OH

Glycyl-dl-aspartic acid

5-FLUORO-2-PHENYLPYRIMIDIN-4(3H)-ONE

2-(PYRIDIN-4-YL)THIAZOLE-4-CARBALDEHYDE

6-(TRIFLUOROMETHYL)PICOLINAMIDE

Benzenesulfonamide, 2-amino-5-fluoro- (7CI,8CI,9CI)

C6H7FN2O2S (190.0212254)

2-Benzothiazolamine,N-2-propenyl-(9CI)

2-Hydroxy-4-(trifluoromethyl)benzaldehyde

1H-Benzimidazole,2-(2-propenylthio)-(9CI)

2-pyridin-2-yl-1,3-thiazole-4-carbaldehyde

(6-Bromo-pyridin-3-ylmethyl)-isopropyl-amine

3-Hydroxy-2-quinoxalinecarboxylic acid

3-chloro-5-phenylpyridazine

(5-pyridin-4-ylthiophen-2-yl)methanamine

2-Phenyl-2H-tetrazole-5-carboxylic acid

4-hydroxy-8-nitroquinoline

4-Oxo-1,4-dihydro-6-quinazolinecarboxylic acid

DL-2,4-Diaminobutyric acid dihydrochloride

Acetic acid,2-(3-oxo-1(3H)-isobenzofuranylidene)-

3,4-Dihydro-4-oxoquinazoline-6-carboxylic acid

phenyl trifluoroacetate

1,1-oxalyldiimidazole

2-Oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylic acid

2,4,5-Trifluorophenylacetic acid

5-Nitro-1(2H)-isoquinolinone

1,1,1-trifluoro-3-phenylpropan-2-ol

4,4-Difluorobiphenyl

(R)-1-(2-Chloroacetyl)pyrrolidine-2-carboxamide

1-chloro-4-(1,1-difluoropropyl)- Benzene

C9H9ClF2 (190.0360808)

4-Fluoro-1-naphthoic acid

Methyl 4-deoxy-alpha-L-threo-hex-4-enopyranosiduronic acid

1-Fluoro-4-[1-(trifluoromethyl)ethenyl]benzene

C9H6F4 (190.0405604)

5-(2-fluoropyridin-3-yl)-1H-pyrrole-3-carbaldehyde

1,3-Dioxolo[4,5-g]quinazolin-6(5H)-one

2-(Trifluoromethoxy)benzaldehyde

D(+)-CARNITINENITRILE CHLORIDE

Thiazolo[3,2-a]benzimidazol-7-ol (6CI)

Thiazolo[3,2-a]benzimidazol-6-ol (6CI,9CI)

1,3-Dioxolo[4,5-f]quinazolin-7(6H)-one

4-Methyl-5-phenyl-1,3-thiazol-2-amine

5-Phenyl-1,3,4-oxadiazole-2-carboxylic acid

7-nitro-1-oxidoquinolin-1-ium

sodium 4-hydroxyphenylglycolate

4-(METHYLTHIO)PHENYL]HYDRAZINEHYDROCHLORIDE

(2E)-2-Bromo-6-methyl-2-heptene

3-oxo-4H-quinoxaline-6-carboxylic acid

(2,4,6-Trifluorophenyl)acetic acid

3-fluoro-4-pyrazol-1-ylbenzaldehyde

6-Nitro-4-quinolinol

Pyrimidine,4-chloro-2-phenyl-

4-benzyl-1,3-thiazol-2-amine

2-(2-methyl-1,3-thiazol-4-yl)aniline

[3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-acetic acid

C7H8F2N2O2 (190.0553812)

N-{[4-(Chloromethyl)-1,3-thiazol-2-yl]methyl}-N,N-dimethylamine

L-2,4-Diaminobutyric acid dihydrochloride

5-(Pyrazin-2-yl)-1H-pyrazole-3-carboxylic acid

4-(Difluoromethoxy)-2-fluorobenzaldehyde

4-Hydroxy-2-(trifluoromethyl)benzaldehyde

3,4-Dihydro-4-oxo-7-quinazolinecarboxylic acid

2-FLUORO-4-(1H-PYRAZOL-1-YL)BENZALDEHYDE

5-(PYRAZIN-2-YL)THIOPHENE-2-CARBALDEHYDE

5-(TRIFLUOROMETHYL)PICOLINAMIDE

4-(trifluoromethyl)pyridine-2-carboxamide

7-nitro-1H-quinolin-4-one

2,4,5-trifluoro-n-hydroxybenzenecarboximidamide

2-Hydroxy-2-methylpropane-1,2,3-tricarboxylic acid

1-Chloromethyl-2-methylnaphthalene

Naphthalene,1-(chloromethyl)-2-methyl-

C12H11Cl (190.0549236)

2-Oxo-1,2-dihydro-quinazoline-4-carboxylic acid

4-(2,2,2-TRIFLUOROETHOXY)TOLUENE

2-acetyl-3-methylbenzo[b]thiophene

4,6-DIMETHYL-PYRIMIDINE-2-SULFONYL FLUORIDE

C6H7FN2O2S (190.0212254)

CHEMBRDG-BB 5108929

2,2,2-Trifluoro-1-(4-hydroxyphenyl)ethanone

6-NITRO-2-QUINAZOLINAMINE

sodium,2-hydroxy-5-methoxybenzoate

1-[4-(TrifluoroMethyl)phenyl]ethanol

1-(2-(TRIFLUOROMETHYL)PHENYL)ETHANOL

1-[3-(Trifluoromethyl)phenyl]ethanol

(S)-3,4-DIAMINOBUTYRIC ACID DIHYDROCHLORIDE

3-(2,3,4-TRIFLUORO-PHENYL)-PROPAN-1-OL

5-(2-Pyridyl)isoxazole-3-carboxylic Acid

1-(PYRIMIDIN-2-YL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

7-NITROQUINOLIN-2(1H)-ONE

2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid

1-Nitro-3,5-dinitroso-1,3,5-triazinane

C3H6N6O4 (190.0450516)

1,2,3-Propanetriol, phosphate

C3H11O7P (190.0242386)

2-(1,3-Benzoxazol-2-ylsulfanyl)acetonitrile

1-oxo-1H-isochromene-3-carboxylic acid

2,4-Diaminopteridine-6-carbaldehyde

C7H6N6O (190.0603066)

3-(4-Nitrophenyl)isoxazole

2-(3-Fluorophenyl)pyrimidin-4-ol

2-(4-Fluorophenyl)-4(3H)-pyrimidinone

6-(4-Fluorophenyl)pyrimidin-4-ol

6-Oxo-4-(3-fluorophenyl)-1,6-dihydropyrimidine

2,3-Dimethylthiochromone

Chromocarb

C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent

Ayapin

6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-one

Sodium dehydroacetate

Dehydroacetic acid sodium

It is used as a preservative for cut or peeled squash

(5-Hydroxyindol-3-yl)acetate

The indol-3-yl carboxylic acid anion formed by loss of a proton from the carboxy group of (5-hydroxyindol-3-yl)acetic acid; principal microspecies at pH 7.3

N-acetylmethioninate

C7H12NO3S- (190.0537862)

(2-hydroxy-1H-indol-3-yl)acetate

2-Oxoindole-3-acetic acid

(2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoate

4-deoxy-6-O-methyl-L-threo-hex-4-enopyranuronate

(S)-4-hydroxy-2-oxoheptanedioic acid

1,4,5-Trihydroxy-5-hydroxymethyl-cyclohex-1-en-3-one

(2Z)-2-[2-(methylsulfanyl)ethyl]but-2-enedioic acid

Indole-3-glycolate

beta-Aspartylglycine

3-Oxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnolin-3-ium

N-acetyl-D-methionine(1-)

C7H12NO3S- (190.0537862)

A D-alpha-amino acid anion resulting from the removal of the proton from the carboxy group of N-acetyl-D-methionine.

2-Acetamido-4-(methylsulfanyl)butanoate

C7H12NO3S- (190.0537862)

Nitrilotriacetate(1-)

C6H8NO6- (190.0351608)

7-Hydroxy-1-oxoisochromene-3-carbaldehyde

2-Trideutromethyl-3-methylthiochromone

5_Hydroxy_3_indole_acetic_acid

Carglumic Acid

A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AA - Amino acids and derivatives C78275 - Agent Affecting Blood or Body Fluid

3-Dehydroquinic acid

A 4-oxo monocarboxylic acid derived from quinic acid by oxidation of the hydroxy group at position 3 to the corresponding keto group.

Coixinden A

2,4-Dihydroxyhept-2-enedioic acid

4-(Trifluoromethyl)benzoic acid

5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal

beta-Asp-gly

H-Asp(Gly-OH)-OH

8H-1,3-Dioxolo[4,5-h][1]benzopyran-8-one

N-carbamoylglutamic acid

A glutamic acid derivative that is glutamic acid substituted by a carbamoyl group at the nitrogen atom.

7-Methoxy-6-methyl-2H-1-benzopyran-2-one

2-Oxo-2H-chromene-4-carboxylic acid

2-Hydroxy-2-(2-oxopropyl)butanedioic acid

1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid

5-hydroxy-7-prop-2-en-(Z)-ylidene-7,7a-dihydro- 2H-cyclopenta[b]pyran-6-one

An organic heterobicyclic compound that is 7,7a-dihydrocyclopenta[b]pyran-6(2H)-one substituted by a hydroxy group at position 5 and a prop-2-en-1-ylidene group at position 7 (the Z isomer). Isolated from the sponge Ulosa and ascidian Diplosoma virens, it exhibits antimicrobial activity and toxicity against HCT116 cells (human colorectal cancer cells) by triggering apoptotic cell death.

Deca-2,4,6-triynedioic acid

3,7-dideoxy-D-threo-hepto-2,6-diuolosonic acid

2-hydroxy-(indol-3-yl)acetate

C10H8NO3 (190.0504158)

An indol-3-yl carboxylic acid anion resulting from the deprotonation of the carboxy group of 2-hydroxy-(indol-3-yl)acetic acid. This is a very minor tautomer; the major tautomer is the corresponding oxindole.

5-hydroxy-7-prop-2-en-(E)-ylidene-7,7a-dihydro- 2H-cyclopenta[b]pyran-6-one