Exact Mass: 174.9939

2-Amino-5-chloromuconate 6-semialdehyde

2-Amino-5-chloro-cis,cis-muconic 6-semialdehyde

Aminosalicylate Sodium

Aminosalicylate sodium anhydrous

C7H6NNaO3 (175.0245)

(R)-(E)-Sulforaphene

ISOTHIOCYANIC ACID, 4-(METHYLSULFINYL)-3-BUTENYL ESTER

Mustard oil from Glucoraphenin (see 4-(Methylthio)-3-butenyl glucosinolate KZZ70-M) in radish seeds (Raphanus sativus variety alba). (R)-(E)-Sulforaphene is found in root vegetables. (R)-(E)-Sulforaphene is found in root vegetables. Mustard oil from Glucoraphenin (see 4-(Methylthio)-3-butenyl glucosinolate KZZ70-M) in radish seeds (Raphanus sativus var. alba Sulforaphene is a natural product found in Thulinella chrysantha, Matthiola incana, and Raphanus sativus with data available. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4].

3-Hydroxypyridine sulfate

(pyridin-3-yl)oxidanesulfonic acid

3-Hydroxypyridine sulfate belongs to the class of organic compounds known as arylsulfates. These are organic compounds containing a sulfate group that carries an aryl group through an ether group. 3-Hydroxypyridine sulfate is a potential urinary biomarker of whole grain intake (PMID: 27805021).

4-Phenyl-1,2,4-triazoline-3,5-dione

4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3,5-dione

Semidehydroascorbic acid

[5-(1,2-dihydroxyethyl)-3-hydroxy-4-oxo-4,5-dihydrofuran-2-yl]oxidanyl

2-oxo-6-methylthiohexanoate

6-(Methylsulphanyl)-2-oxohexanoic acid

C7H11O3S (175.0429)

2-oxo-6-methylthiohexanoate, also known as 6-(methylthio)-2-oxohexanoic acid, belongs to medium-chain keto acids and derivatives class of compounds. Those are keto acids with a 6 to 12 carbon atoms long side chain. 2-oxo-6-methylthiohexanoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-oxo-6-methylthiohexanoate can be found in a number of food items such as soursop, nance, turmeric, and strawberry guava, which makes 2-oxo-6-methylthiohexanoate a potential biomarker for the consumption of these food products.

4-Bromo-1-methyl-1H-pyrazol-5-amine

Nocarsin A

Sulforaphene

(1E)-4-Isothiocyanato-1-(methylsulfinyl)-1-butene

(r)-(e)-sulforaphene is a member of the class of compounds known as sulfoxides. Sulfoxides are compounds containing a sulfoxide functional group, with the structure RS(=O)R (R,R not H) (r)-(e)-sulforaphene is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (r)-(e)-sulforaphene can be found in root vegetables, which makes (r)-(e)-sulforaphene a potential biomarker for the consumption of this food product. Acquisition and generation of the data is financially supported in part by CREST/JST.; L Sulforaphene, 99\\\\\% / (-)4-Isothiocyanato-4R-(methylsulfinyl)-1-butene Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4].

S-Sulforaphene

(1E)-4-Isothiocyanato-1-(methylsulfinyl)-1-butene

Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4]. Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4].

1-Methylsulfinylbutenyl isothiocyante

Annotation level-1

3-Hydroxypyridine sulfate

2-Hydroxypyridine sulfate

(R)-(E)-Sulforaphene

(1E)-4-isothiocyanato-1-methanesulfinylbut-1-ene

L-Cysteine hydrochloride hydrate

l-cysteine hydrochloride hydrate, 98.5-

C3H10ClNO3S (175.007)

A hydrate that is the monohydrate form of L-cysteine hydrochloride. L-Cysteine hydrochloride hydrate is a conditionally essential amino acid, which acts as a precursor for biologically active molecules such as hydrogen sulphide (H2S), glutathione and taurine. L-Cysteine hydrochloride hydrate suppresses ghrelin and reduces appetite in rodents and humans[1].

6-Chloro-2-fluoropyridine-3-boronic acid

5-Thiazolecarboxylicacid,2,3-dihydro-4-methyl-2-thioxo-

C5H5NO2S2 (174.9762)

2,2,2-TTRIFLUORO-1-(PYRIDIN-4-YL)ETHANONE

5-(Trifluoromethyl)nicotinaldehyde

2,6-Difluoro-4-nitrophenol

4-Chloro-2-fluoronitrobenzene

3,5-dichloro-4-pyridinecarboxaldehyde

4,5-Difluoro-2-nitrophenol

4-(Trifluoro-λ4-sulfanyl)morpholine

C4H8F3NOS (175.0279)

Ammoniumbenzenesulfonate

Aminobenzoate potassium

4-Aminobenzoic acid potassium salt

C7H6KNO2 (175.0036)

D - Dermatologicals

1,3-Dimethyl-4-nitro-5-chloropyrazole

2-(Trifluoromethyl)isonicotinaldehyde

3,4-Dichloro-N-methylaniline

2-Chloro-5-fluoropyridine-4-boronic acid

1-Chloro-2-fluoro-4-nitrobenzene

5-(3-chloropropyl)-4-methyl-1,3-thiazole

violuric acid monohydrate

C4H5N3O5 (175.0229)

5-chloro-6-fluoronicotinic acid

benzyl-2,3,4,5,6-d5 bromide

C7H2BrD5 (175.0045)

3-Chloro-5-fluoro-4-pyridinecarboxylic acid

4-BROMO-5-METHYL-2H-PYRAZOL-3-YL-AMINE

3-CHLORO-5-FLUOROPICOLINIC ACID

6-(Trifluoromethyl)nicotinaldehyde

2,4-dichloro-3,6-dimethylpyridine

3-(chloromethyl)-2-fluoro-4-methoxypyridine

C7H7ClFNO (175.02)

(3-TRIFLUOROMETHYLPHENOXY)ACETICACIDETHYLESTER

2,4-dichloro-6-methylaniline

3-Bromo-1-ethyl-1H-1,2,4-triazole

DL-Cysteine·HCl·H2O

C3H10ClNO3S (175.007)

(5-Chloro-2-fluoro-3-pyridinyl)boronic acid

2-(4-Pyridinyl)ethanethiol hydrochloride (1:1)

6-Chloro-5-fluoro-nicotinic acid

Ethyl 5-chloro-1H-1,2,4-triazole-3-carboxylate

2-METHOXYTETRAFLUOROPROPIONAMIDE

C4H5F4NO2 (175.0256)

8-fluoroquinoline-2-carbaldehyde

C10H6FNO (175.0433)

1-Chloro-4-fluoro-2-nitrobenzene

2-Chloro-4-fluoronitrobenzene

N-Acetyl-L-thiazolidine-4-carboxylic acid

5-Bromo-1-methyl-1H-pyrazol-3-amine

3-AMINO-THIENO[2,3-B]PYRIDINE-2-CARBONITRILE

3-Aminothieno[3,2-b]pyridine-6-carbonitrile

2,6-dichloro-4-toluidine

4-Fluorobenzenesulfonamide

4-Fluoro-2-(methylsulfonyl)pyridine

1H-Imidazol-2-amine,4,5-dihydro-4,5-dinitro-

C3H5N5O4 (175.0342)

4-(bromomethyl)-2-methyl-1,3-oxazole

2-(4,5-DICHLORO-1H-IMIDAZOL-1-YL)ACETONITRILE

C5H3Cl2N3 (174.9704)

(2,6-dichlorophenyl)methanamine

2,4-Dichlorobenzylamine

2,4-Dichloro-5-methylaniline

2,6-dichloronitrosobenzene

4,5,6,7-Tetrahydrothieno[3,2-c]pyridine hydrochloride

4,5-Dichloro-2-methylaniline

2-Pyridinesulfonicacid, 3-hydroxy-

3-Pyridinesulfonicacid, 1,2-dihydro-2-oxo-

6-HYDROXYPYRIDINE-3-SULFONIC ACID

1,2,4-Triazolo[3,4-b]benzothiazole (9CI)

2-(4-AMINOPHENYL)PYRIDIN-3-OL

3-Bromo-1-methyl-1,2,5,6-tetrahydropyridine

C6H10BrN (174.9997)

2-BROMO-4,5-DIMETHYLOXAZOLE

(±)-3-Trifluoromethylpyrrolidine hydrochloride

C5H9ClF3N (175.0376)

5-Bromo-2,4-dimethyl-oxazole

(s)-4-(2-methylthioethyl)oxazolidine-2,5-dione

Folcisteine

3,4,5-trifluorobenzamide

5-Chloro-2-ethoxy-3-fluoropyridine

C7H7ClFNO (175.02)

2-(Trifluoroacetyl)pyridine

2,3-Dichloropyridine-4-carboxaldehyde

3-Chloro-2-fluoroisonicotinic acid

methyl 2-(chloromethyl)oxazole-4-carboxylate

2,3-Dichloro-5-formylpyridine

(2,4-Dioxo-1,3-thiazolidin-3-yl)acetic acid

3-bromo-4,5-dimethyl-1,2-oxazole

5-(chloromethyl)-4-ethyl-2-methyl-1,3-thiazole(SALTDATA: FREE)

3,5-Dichlorobenzylamine

3-Chloro-2-fluoronitrobenzene

2-chloro-5-fluoropyridine-3-boronic acid

Ethyl 2-fluorothiazole-4-carboxylate

nitrosonium hexafluorophosphate

F6NOP (174.9622)

4,5,6,7-tetrahydro-thieno[2,3-c]pyridine hydrochloride

2-Ethoxy-3-hydroxypyridine

1H-Imidazo[4,5-b]thieno[3,2-e]pyridine (9CI)

1H-Imidazo[4,5-b]thieno[2,3-e]pyridine (9CI)

4-HYDROXY-3,3-DIMETHYLBUTYRONITRILE

C6H10BrN (174.9997)

2(3H)-THIAZOLETHIONE, 5-(2-HYDROXYETHYL)-4-METHYL-

Pyridine methanesulfonate (1:1)

2-Chloronicotinyl chloride

6-Chloronicotinoyl chloride

2,3,4,5-TETRAFLUOROBENZONITRILE

C7HF4N (175.0045)

2-Aminobenzo[d]thiazole-5-carbonitrile

2-Hydroxy-4-methoxyaniline hydrochloride

2,3-Difluoro-6-nitrophenol

(4-bromo-1H-pyrrol-2-yl)methanol

2-Pyridinecarbonyl chloride, 3-chloro- (9CI)

4-Chloro-5-fluoro-2-pyridinecarboxylic acid

4,6-DICHLOROPICOLINALDEHYDE

1-(2-bromoethyl)-1,2,4-triazole

1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one

6-fluoroquinoline-2-carbaldehyde

C10H6FNO (175.0433)

4-Bromo-3,5-dimethylisoxazole

4-Bromo-3,5-dimethyl-1,2-oxazole

4,6-Dichloronicotinaldehyde

2-Chloro-6,7-dihydro-4H-pyrano[4,3-d]thiazole

C6H6ClNOS (174.9859)

3-Bromo-1-methyl-1H-pyrazol-5-amine

3-Chloro-2-fluoropyridine-4-boronic acid

1H-1,2,4-Triazole,5-bromo-1-ethyl-(9CI)

3,4-Dichloro-2-methylaniline

2,3-BIS(CHLOROMETHYL)PYRIDINE

3-Pyridinecarbonyl chloride, 5-chloro- (9CI)

4-Hydroxypyridine-3-sulfonic acid

4-Amino-6-chloro-2-(methylthio)pyrimidine

C5H6ClN3S (174.9971)

6-Amino-1,3-benzothiazole-2-carbonitrile

6-Nitroso-1,2-benzopyrone

C9H5NO3 (175.0269)

2,2,2-Trifluoro-1-(3-pyridinyl)ethanone

1,2-Dimethylimidazole-4-sulfonamide

C5H9N3O2S (175.0415)

6-Chloro-2-fluoronicotinic acid

4-chloro-2-(chloromethyl)-3-methylpyridine

3,4-Bis(chloromethyl)pyridine

4-Chlorpyridin-2-carbonylchlorid

2-Chloro-3-Fluoro-4-Carboxypyridine

3-Fluorobenzenesulfonamide

benzylamine, 3,4-dichloro-

2-Fluorobenzenesulfonamide

3,5-Difluoro-2-nitrophenol

4-(difluoromethylsulfanyl)aniline

C7H7F2NS (175.0267)

(5-Chloro-6-fluoro-3-pyridinyl)boronic acid

5-CHLOROPICOLINOYL CHLORIDE

2,4-difluoro-6-nitrophenol

2,5-DIFLUORO-4-NITROPHENOL

2-Pyridinesulfonicacid, 5-hydroxy-

2,6-Dichloroisonicotinaldehyde

4(1H)-Pyrimidinone,6-chloro-5-nitro-

C4H2ClN3O3 (174.9785)

2-(2,1,3-benzoxadiazol-5-yloxy)acetonitrile

(2-thioxo-4-thiazolin-4-yl)acetic acid

C5H5NO2S2 (174.9762)

2,3-DIHYDROXYMETHYLPYRIDINE HYDROCHLORIDE

2-Acetamido-5-mercapto-1,3,4-thiadiazole

C4H5N3OS2 (174.9874)

3-(Trifluoromethyl)-2-pyridinecarbaldehyde

3-Chloro-4-fluoronitrobenzene

5-nitro-2-furoyl chloride

C5H2ClNO4 (174.9672)

N-(5-chlorothiophen-2-yl)acetamide

C6H6ClNOS (174.9859)

5-propylsulfanyl-1,2,4-thiadiazol-3-amine

C5H9N3S2 (175.0238)

3,5-Dichloro-4-methylaniline

(2-Chloro-3-fluoro-4-pyridinyl)boronic acid

2-chloro-5-fluoro-N,N-dimethylpyrimidin-4-amine

C6H7ClFN3 (175.0313)

3-PYRIDAZINECARBOXYLIC ACID, 6-AMINO-, HYDROCHLORIDE

Benzamide, N-hydroxy-,potassium salt (1:1)

C7H6KNO2 (175.0036)

2,3,5,6-Tetrafluorobenzonitrile

C7HF4N (175.0045)

N-Methyl 2,4-dichloroaniline

6-(Trifluoromethyl)-2-pyridinecarbaldehyde

(3-Chloropyridin-4-yl)boronic acid hydrate

C5H7BClNO3 (175.0207)

6-Nitroquinoxaline

Isoquinoline-1,3,4-trione

C9H5NO3 (175.0269)

1-(3-chloropropyl)pyrrolidine-2,5-dione(SALTDATA: FREE)

4-(Trifluoromethyl)-2-pyridinecarbaldehyde

3,5-DICHLOROPICOLINALDEHYDE

6-chloro-4-fluoropyridine-3-carboxylic acid

N-fluorobenzenesulfonamide

5-Nitrophthalazine

2-Chloro-4,6-dimethoxy-1,3,5-triazine

p-Sulfanilyl fluoride

2,5-Dichloronicotinaldehyde

5-(Trifluoromethyl)-2-pyridinecarboxyaldehyde

2-methylsulfanyl-1,3-thiazole-4-carboxylic acid

C5H5NO2S2 (174.9762)

3-Bromo-5-ethyl-1H-1,2,4-triazole

7-Fluoro-6-quinolinecarbaldehyde

C10H6FNO (175.0433)

ethyl 2-chloroxazole-4-carboxylate

5-Isothiocyanato-1H-benzimidazole

4-BROMO-1,5-DIMETHYL-1H-1,2,3-TRIAZOLE

4-BROMO-2,5-DIMETHYL-2H-1,2,3-TRIAZOLE

5-Bromo-2,3-dihydropyrimidin-4-amine

caprolactamdisulfide

C6H9NOS2-- (175.0126)

3-Amino-4-bromo-1-methyl-1H-pyrazole

2-formylfuran-5-sulfonate

C5H3O5S- (174.9701)

2-Trifluoromethyl-nicotinaldehyde

tetrahydro-3-(isocyanatomethyl)Thiophene 1,1-dioxide

4-Chloro-1-fluoro-2-nitrobenzene

2-Chloro-3-fluoronitrobenzene

Pyridine,2,6-bis(chloromethyl)-

2,6-dichloro-m-toluidine

2,5-Dichloroisonicotinaldehyde

1-Chloro-3-fluoro-2-nitrobenzene

5-(Bromomethyl)-3-methylisoxazole

2-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)acetic acid

2,3,5-Trifluorobenzamide

N-(4-AMINO-2-METHYLPHENYL)CYCLOPENTANECARBOXAMIDE

2-AMINO-5-N-PROPYLTHIO-1,3,4-THIADIAZOLE

C5H9N3S2 (175.0238)

1-(Dimethylsulfamoyl)Pyrazole

C5H9N3O2S (175.0415)

2-(Trifluoromethyl)pyrrolidine, hydrochloride

C5H9ClF3N (175.0376)

2-Chloro-4-fluoronicotinic acid

2,6-Pyridinedimethanol hydrochloride

4,5-dichloro-3-Pyridinecarboxaldehyde

4-Nitro-inden-1-one

C9H5NO3 (175.0269)

4-Imino-5-methidyl-2-trifluoromethylpyrimidine

C6H4F3N3 (175.0357)

ascorbate

2-oxo-6-methylthiohexanoate

6-(Methylsulphanyl)-2-oxohexanoic acid

C7H11O3S- (175.0429)

5-Dehydro-4-deoxy-D-glucuronate

(4S)-4,6-Dihydroxy-2,5-dioxohexanoate

(4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate

(R)-(2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate

A (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate obtained by deprotonation of the carboxy group of (R)-(2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid; major species at pH 7.3.

(2S)-2-azaniumyl-3-(carboxylatoformamido)propanoate

C5H7N2O5- (175.0355)

4-deoxy-L-threo-hex-4-enopyranuronate

Chloro(5-oxo-2,5-dihydrofuran-2-yl)acetate

4-deoxy-L-erythro-hex-4-enopyranuronate

Isoascorbate

Itatartarate

C5H3O7-3 (174.9879)

(+)-2-Chloromuconolactone

5-Chlorocarbonyl-2-hydroxy-penta-2,4-dienate

2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate

(2Z,4Z)-2-amino-5-chloro-6-oxohexa-2,4-dienoic acid

4-deoxy-beta-L-threo-hex-4-enopyranuronate

1,3-Dinitro-1,2,3,4-tetrahydro-1,3,5-triazine

C3H5N5O4 (175.0342)

5-Chlorocarbonyl-4-hydroxy-penta-2,4-dienoate

(2-Chloro-5-oxo-2,5-dihydro-2-furyl)acetate

Phenyldichlorosilane

C6H5Cl2Si (174.9538)

Monodehydroascorbate radical

2-Amino-5-chloro-cis,cis-muconic 6-semialdehyde

A muconic semialdehyde having amino and chloro substituents at positions 2 and 5 respectively.

L-ascorbate

The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.

2-amino-5-chloro-cis,cis-muconate 6-semialdehyde zwitterion

An amino acid zwitterion obtained by transfer of a proton from the amino to the carboxy group of 2-amino-5-chloro-cis,cis-muconic 6-semialdehyde

Monodehydro-L-ascorbic acid

5-chloromuconolactone(1-)

C6H4ClO4 (174.9798)

A monocarboxylic acid anion that is the conjugate base of 5-chloromuconolactone, obtained by deprotonation of the carboxy group; major species at pH 7.3.

Hydroxypyridine sulfate

4-isothiocyanato-1-methanesulfinylbut-1-ene

10-hydroxy-1,7,9-triazatricyclo[5.3.1.0⁴,¹¹]undeca-2,4(11),5,9-tetraen-8-one

(1e)-4-isothiocyanato-1-[(s)-methanesulfinyl]but-1-ene