Exact Mass: 172.0306468

Exact Mass Matches: 172.0306468

Found 500 metabolites which its exact mass value is equals to given mass value 172.0306468, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Glycerol 3-phosphate

alpha-Glycerophosphoric acid, 1,2,3-propanetriol-1-(18)O,3-(dihydrogen phosphate)-labeled

C3H9O6P (172.0136744)


Glycerol 3-phosphate, also known as glycerophosphoric acid or alpha-glycerophosphorate, is a member of the class of compounds known as glycerophosphates. Glycerophosphates are compounds containing a glycerol linked to a phosphate group. Glycerol 3-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). Glycerol 3-phosphate can be found in a number of food items such as sacred lotus, common oregano, mixed nuts, and yautia, which makes glycerol 3-phosphate a potential biomarker for the consumption of these food products. Glycerol 3-phosphate can be found primarily in blood, feces, saliva, and urine, as well as in human prostate tissue. Glycerol 3-phosphate exists in all living species, ranging from bacteria to humans. In humans, glycerol 3-phosphate is involved in several metabolic pathways, some of which include cardiolipin biosynthesis cl(i-12:0/i-21:0/a-21:0/i-21:0), cardiolipin biosynthesis cl(i-12:0/a-25:0/i-13:0/i-12:0), cardiolipin biosynthesis cl(i-13:0/i-21:0/i-21:0/a-25:0), and cardiolipin biosynthesis cl(i-13:0/a-25:0/i-18:0/a-13:0). Glycerol 3-phosphate is also involved in several metabolic disorders, some of which include de novo triacylglycerol biosynthesis tg(i-24:0/19:0/16:0), de novo triacylglycerol biosynthesis TG(16:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z)), de novo triacylglycerol biosynthesis TG(18:0/18:3(9Z,12Z,15Z)/14:1(9Z)), and de novo triacylglycerol biosynthesis TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z)). Glycerol 3-phosphate is a chemical intermediate in the glycolysis metabolic pathway. It is commonly confused with the similarly named glycerate 3-phosphate or glyceraldehyde 3-phosphate. Glycerol 3-phosphate is produced from glycerol, the triose sugar backbone of triglycerides and glycerophospholipids, by the enzyme glycerol kinase. Glycerol 3-phospate may then be converted by dehydrogenation to dihydroxyacetone phosphate (DHAP) by the enzyme glycerol-3-phosphate dehydrogenase. DHAP can then be rearranged into glyceraldehyde 3-phosphate (GA3P) by triose phosphate isomerase (TIM), and feed into glycolysis. The glycerol 3-phosphate shuttle is used to rapidly regenerate NAD+ in the brain and skeletal muscle cells of mammals (wikipedia). Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID G072

   

Sulfanilamide

4-Aminobenzene sulphonic acid amide

C6H8N2O2S (172.0306468)


Sulfanilamide is only found in individuals that have used or taken this drug. It is a molecule containing the sulfonamide functional group attached to an aniline. [Wikipedia]Sulfanilamide is a competitive inhibitor of bacterial enzyme dihydropteroate synthetase. This enzyme normally uses para-aminobenzoic acid (PABA) for synthesizing the necessary folic acid. The inhibited reaction is normally necessary in these organisms for the synthesis of folic acid. Without it, bacteria cannot replicate. D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BA - Sulfonamides J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 1022 KEIO_ID S016

   

Menadione

Vitamin K3: 1,4-dihydro-1,4-dioxo-2-methylnaphthalene

C11H8O2 (172.0524268)


Menadione is a synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo. -- Pubchem; Despite the fact that it can serve as a precursor to various types of vitamin K, menadione is generally not used as a nutritional supplement. Large doses of menadione have been reported to cause adverse outcomes including hemolytic anemia due to G6PD deficiency, neonatal brain or liver damage, or neonatal death in some cases. Moreover, menadione supplements have been banned by the FDA because of their high toxicity. It is sometimes called vitamin K3, although derivatives of naphthoquinone without the sidechain in the 3-position cannot exert all the functions of the K vitamins. Menadione is a vitamin precursor of K2 which utilizes alkylation in the liver to yield menaquinones (MK-n, n=1-13; K2 vitamers), and hence, is better classified as a provitamin. -- Wikipedia. B - Blood and blood forming organs > B02 - Antihemorrhagics > B02B - Vitamin k and other hemostatics > B02BA - Vitamin k D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics D050299 - Fibrin Modulating Agents > D000933 - Antifibrinolytic Agents D018977 - Micronutrients > D014815 - Vitamins Prothrombogenic vitamin (synthetic) Menadione is a naphthoquinone that is converted into active vitamin K2 in the body. Menadione is a naphthoquinone that is converted into active vitamin K2 in the body.

   

naphthoic acid

1-NAPHTHOIC ACID

C11H8O2 (172.0524268)


A naphthoic acid carrying a carboxy group at position 1.

   

p-Toluenesulfonic acid

4-Toluenesulfonic acid, silver (+1) salt

C7H8O3S (172.0194138)


p-Toluenesulfonic acid, also known as tosylate or para-toluene sulfonate, is a member of the class of compounds known as p-methylbenzenesulfonates. p-Methylbenzenesulfonates are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position. p-Toluenesulfonic acid is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). p-Toluenesulfonic acid (PTSA or pTsOH) or tosylic acid (TsOH) is an organic compound with the formula CH3C6H4SO3H. It is a white solid that is soluble in water, alcohols, and other polar organic solvents. The CH3C6H4SO2– group is known as the tosyl group and is often abbreviated as Ts or Tos. Most often, TsOH refers to the monohydrate, TsOH•H2O. It is a white solid that is soluble in water, alcohols, and other polar organic solvents (Wikipedia). CONFIDENCE standard compound; INTERNAL_ID 337; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2502; ORIGINAL_PRECURSOR_SCAN_NO 2501 CONFIDENCE standard compound; INTERNAL_ID 337; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2509; ORIGINAL_PRECURSOR_SCAN_NO 2508 CONFIDENCE standard compound; INTERNAL_ID 337; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2534; ORIGINAL_PRECURSOR_SCAN_NO 2533 CONFIDENCE standard compound; INTERNAL_ID 337; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2493; ORIGINAL_PRECURSOR_SCAN_NO 2492 CONFIDENCE standard compound; INTERNAL_ID 337; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2571; ORIGINAL_PRECURSOR_SCAN_NO 2570 CONFIDENCE standard compound; INTERNAL_ID 337; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2508; ORIGINAL_PRECURSOR_SCAN_NO 2507

   

beta-Glycerophosphoric acid

2-HYDROXY-1-(hydroxymethyl)ethyl dihydrogen phosphoric acid

C3H9O6P (172.01367439999999)


beta-Glycerophosphoric acid, also known as BGA or glycerol 2-phosphate, is a component of glycerolipid metabolism. It is formed in minor quanitites because the alpha glycerophosphorate is preferentially formed in this manner. beta-Glycerophosphoric acid is used as a biological buffer (Sigma-Aldrich). Glycerol-2-phosphate is a component of glycerolipid metabolism. It is formed in minor quanitites, as the alpha glycerophosphorate is preferentially formed in this manner. Also used as a biological buffer (Sigma-Aldrich) [HMDB] Acquisition and generation of the data is financially supported in part by CREST/JST.

   

2-Naphthoic acid

2-Naphthoic acid, palladium (2+) salt

C11H8O2 (172.0524268)


CONFIDENCE standard compound; INTERNAL_ID 48

   

3-dehydroshikimate

4,5-dihydroxy-3-oxocyclohexene-1-carboxylic acid

C7H8O5 (172.0371718)


   

Dehydroshikimic acid

Dehydroshikimic acid

C7H8O5 (172.0371718)


   

2-Oxohept-3-enedioate

cis-2-Oxohept-3-enedioic acid

C7H8O5 (172.0371718)


   

Hydantoin-5-propionic acid

3-(2,5-Dioxo-imidazolidin-4-yl)-propionic acid

C6H8N2O4 (172.0484048)


Hydantoin-5-propionic acid is a metabolite of histidine, urinary hydantoin-5-propionic acid occur in patients with disorders of folate/ vitamin B12 metabolism (PMID: 3760095). Folic acid non-dependent excessive formiminoglutamic aciduria (Figlu-uria) is an extremely rare disorder; treatment with oral folate supplements (15 mg/day) for 3 weeks failed to reduce urinary hydantoin-5-propionic acid (PMID: 8487495). A metabolite of histidine, urinary hydantoin-5-propionic acid occur in patients with disorders of folate/ vitamin B12 metabolism (PMID: 3760095) 5-Hydantoinpropionic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=5624-26-0 (retrieved 2024-07-01) (CAS RN: 5624-26-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

2-Hydroxyhepta-2,4-dienedioate

2-hydroxy-hept-2,4-diene-1,7-dioic acid

C7H8O5 (172.0371718)


A dicarboxylic acid that is 2-hydroxyhepta-2,4-diene in which the two terminal methyl groups are replaced by carboxy groups (the 2Z,4E-geoisomer).

   

Benzenamine sulfate

Benzenamine sulfate

C6H6NO3S- (172.0068386)


   

2-Hydroxy-5-methyl-cis,cis-muconate

2-Hydroxy-5-methyl-cis,cis-muconic acid

C7H8O5 (172.0371718)


   

6918-07-6

2-Oxo-5-methyl-cis-muconate

C7H8O5 (172.0371718)


   

Methyl (Z)-2-decene-4,6,8-triynoate

Dehydromatricaria methyl ester, 1-(14)C-labeled

C11H8O2 (172.0524268)


Methyl (Z)-2-decene-4,6,8-triynoate occurs in Artemisia vulgaris (mugwort). Occurs in Artemisia vulgaris (mugwort)

   

1-Hydroxy-2-naphthaldehyde

1-Hydroxy-2-naphthaldehyde

C11H8O2 (172.0524268)


   

(R)-AMAA

(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid

C6H8N2O4 (172.0484048)


   

5-Methylmaleylacetate

5-Methylmaleylacetate

C7H8O5 (172.0371718)


   

2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid

(3Z,5E)-4,6-dihydroxy-5-methyl-2-oxohexa-3,5-dienoic acid

C7H8O5 (172.0371718)


A dihydroxy monocarboxylic acid that is 2,4-dihydroxy-2,4-hexadienoic acid bearing additional methyl and oxo substituents at positions 5 and 6 respectively.

   

L-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid

2-amino-3-(5-oxo-2,5-dihydro-1,2-oxazol-2-yl)propanoic acid

C6H8N2O4 (172.0484048)


L-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid is found in pulses. L-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid is a amino acid from the roots of pea seedlings (Pisum species Amino acid from the roots of pea seedlings (Pisum subspecies). L-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid is found in pulses.

   

3-(5-oxoisoxazolin-4-yl)-L-alanine

3-(5-oxoisoxazolin-4-yl)-L-alanine

C6H8N2O4 (172.0484048)


   

Glycerophosphoric acid

alpha-Glycerophosphoric acid, 1,2,3-propanetriol-1-(18)O,3-(dihydrogen phosphate)-labeled

C3H9O6P (172.01367439999999)


Glycerol 3-phosphate is a chemical intermediate in the glycolysis metabolic pathway. It is commonly confused with the similarly named glycerate 3-phosphate or glyceraldehyde 3-phosphate. Glycerol 3-phosphate is produced from glycerol, the triose sugar backbone of triglycerides and glycerophospholipids, by the enzyme glycerol kinase. Glycerol 3-phospate may then be converted by dehydrogenation to dihydroxyacetone phosphate (DHAP) by the enzyme glycerol-3-phosphate dehydrogenase. DHAP can then be rearranged into glyceraldehyde 3-phosphate (GA3P) by triose phosphate isomerase (TIM), and feed into glycolysis. The glycerol 3-phosphate shuttle is used to rapidly regenerate NAD+ in brain and skeletal muscle cells of mammals (wikipedia). [HMDB]

   
   

(Z)-2-Decene-4,6,8-triynoic acid methylester

2-Decene-4,6,8-triynoic acid, methyl ester, (Z)-

C11H8O2 (172.0524268)


   

Monomethyl phenylphosphonate

Phenylphosphonic acid, monomethyl ester

C7H9O3P (172.0289294)


Monomethyl phenylphosphonate is a metabolite of Leptophos DLC66-L and Leptophos Oxon belo

   

2-Hydroxy-1-naphthaldehyde

2-Hydroxy-1-naphthalenecarboxaldehyde

C11H8O2 (172.0524268)


CFL-137 is a potent KRasG12C inhibitor. CFL-137 shows an antiproliferative effect. CFL-137 shows anticancer activity. CFL-137 has the potential for the research of lung cancer[1].

   

4-Chloro-1-methyl-2H-pyridine-3-carboxamide

4-Chloro-1-methyl-1,2-dihydropyridine-3-carboximidate

C7H9ClN2O (172.0403374)


   

2-chloro-5-imino-2,3,5,7a-tetrahydro-1H-pyrrolizin-7a-ol

2-chloro-5-imino-2,3,5,7a-tetrahydro-1H-pyrrolizin-7a-ol

C7H9ClN2O (172.0403374)


   

Xanthopappin A

Xanthopappin A

C11H8S (172.0346688)


   

6-Methyl-1,4-naphthoquinone

6-Methyl-1,4-naphthoquinone

C11H8O2 (172.0524268)


   

4-(furan-3-yl)benzaldehyde

4-(furan-3-yl)benzaldehyde

C11H8O2 (172.0524268)


   

5-Dehydroshikimic acid

(-)-3-DEHYDROSHIKIMIC ACID

C7H8O5 (172.0371718)


   

2Z-Dehydromatricaria ester

2Z-Dehydromatricaria ester

C11H8O2 (172.0524268)


   

menadione

2-Methyl-1,4-naphthoquinone

C11H8O2 (172.0524268)


A member of the class of 1,4-naphthoquinones that is 1,4-naphthoquinone which is substituted at position 2 by a methyl group. It is used as a nutritional supplement and for the treatment of hypoprothrombinemia. B - Blood and blood forming organs > B02 - Antihemorrhagics > B02B - Vitamin k and other hemostatics > B02BA - Vitamin k D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics D050299 - Fibrin Modulating Agents > D000933 - Antifibrinolytic Agents D018977 - Micronutrients > D014815 - Vitamins Menadione is a naphthoquinone that is converted into active vitamin K2 in the body. Menadione is a naphthoquinone that is converted into active vitamin K2 in the body.

   

3,5-Difluorophenylacetic acid

3,5-Difluorophenylacetic acid

C8H6F2O2 (172.033584)


   

2-Hydroxy-naphthaldehyde

1-naphthalenecarboxaldehyde, 2-hydroxy

C11H8O2 (172.0524268)


CONFIDENCE standard compound; INTERNAL_ID 13 CFL-137 is a potent KRasG12C inhibitor. CFL-137 shows an antiproliferative effect. CFL-137 shows anticancer activity. CFL-137 has the potential for the research of lung cancer[1].

   
   

(Z)-3-Undecene-5,7,10-triynoic acid

(Z)-3-Undecene-5,7,10-triynoic acid

C11H8O2 (172.0524268)


   

2,5-dimethoxychlorobenzene

2-Chloro-1,4-dimethoxybenzene

C8H9ClO2 (172.02910440000002)


   

Drosophilin D (cis-Undeca-3,9,10-trien-5,7-diinsaeure)|Undeca-3c,9,10-trien-5,7-diinsaeure|undeca-3c,9,10-triene-5,7-diynoic acid

Drosophilin D (cis-Undeca-3,9,10-trien-5,7-diinsaeure)|Undeca-3c,9,10-trien-5,7-diinsaeure|undeca-3c,9,10-triene-5,7-diynoic acid

C11H8O2 (172.0524268)


   

2-Cyanoglutamic acid

2-Cyanoglutamic acid

C6H8N2O4 (172.0484048)


   

3-amino-3-(1,3-thiazol-2-yl)propanoic acid

3-amino-3-(1,3-thiazol-2-yl)propanoic acid

C6H8N2O2S (172.0306468)


   

6-phenyl-2H-pyran-2-one

6-phenyl-2H-pyran-2-one

C11H8O2 (172.0524268)


   

2-phenyl-4H-pyran-4-one

2-phenyl-4H-pyran-4-one

C11H8O2 (172.0524268)


   

5-Hepta-1,2-dien-4,6-diinyl-dihydro-furan-2-on|5-hepta-1,2-diene-4,6-diynyl-dihydro-furan-2-one|Nemotin

5-Hepta-1,2-dien-4,6-diinyl-dihydro-furan-2-on|5-hepta-1,2-diene-4,6-diynyl-dihydro-furan-2-one|Nemotin

C11H8O2 (172.0524268)


   

5-Methyl-1,4-naphthoquinone

5-Methyl-1,4-naphthoquinone

C11H8O2 (172.0524268)


   

2,3-Methylenedioxynaphthalene

2,3-Methylenedioxynaphthalene

C11H8O2 (172.0524268)


   

Drosophilin C (cis-Undec-3-en-5,7,10-triinsaeure)|Undec-3c-en-5,7,10-triinsaeure|undec-3c-ene-5,7,10-triynoic acid

Drosophilin C (cis-Undec-3-en-5,7,10-triinsaeure)|Undec-3c-en-5,7,10-triinsaeure|undec-3c-ene-5,7,10-triynoic acid

C11H8O2 (172.0524268)


   

rac-Glycerol 3-phosphoate disodium salt hexahydrate

rac-Glycerol 3-phosphoate disodium salt hexahydrate

C3H9O6P (172.01367439999999)


   

L-Glycerol-2-phosphate Disodium Salt n-Hydrate

L-Glycerol-2-phosphate Disodium Salt n-Hydrate

C3H9O6P (172.01367439999999)


   
   

P-TOLUENESULFONIC ACID

P-TOLUENESULFONIC ACID

C7H8O3S (172.0194138)


   

1-Methylnicotinamide chloride

1-Methylnicotinamide chloride

C7H9ClN2O (172.0403374)


   

Glycerol 2-phosphate

Glycerol 2-phosphate

C3H9O6P (172.01367439999999)


A glycerol monophosphate having the phosphate group at the 2-position.

   

sulfanilamide

Asulam-TP Sulfanilamide

C6H8N2O2S (172.0306468)


D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BA - Sulfonamides J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 576; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3370; ORIGINAL_PRECURSOR_SCAN_NO 3366 CONFIDENCE standard compound; INTERNAL_ID 576; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3389; ORIGINAL_PRECURSOR_SCAN_NO 3387 CONFIDENCE standard compound; INTERNAL_ID 576; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3366; ORIGINAL_PRECURSOR_SCAN_NO 3363 CONFIDENCE standard compound; INTERNAL_ID 576; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3385; ORIGINAL_PRECURSOR_SCAN_NO 3381 CONFIDENCE standard compound; INTERNAL_ID 576; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3372; ORIGINAL_PRECURSOR_SCAN_NO 3369 CONFIDENCE standard compound; INTERNAL_ID 576; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3376; ORIGINAL_PRECURSOR_SCAN_NO 3373 CONFIDENCE standard compound; UCHEM_ID 4195

   

Glycerol 3-phosphate; LC-tDDA; CE10

Glycerol 3-phosphate; LC-tDDA; CE10

C3H9O6P (172.01367439999999)


   

Glycerol 3-phosphate; LC-tDDA; CE20

Glycerol 3-phosphate; LC-tDDA; CE20

C3H9O6P (172.01367439999999)


   

Glycerol 3-phosphate; LC-tDDA; CE30

Glycerol 3-phosphate; LC-tDDA; CE30

C3H9O6P (172.01367439999999)


   

Glycerol 3-phosphate; LC-tDDA; CE40

Glycerol 3-phosphate; LC-tDDA; CE40

C3H9O6P (172.01367439999999)


   
   
   

3-Dehydroshikimic acid

3-Dehydroshikimic acid

C7H8O5 (172.0371718)


A 4-oxo monocarboxylic acid that is shikimic acid in which the allylic hydroxy group has been oxidised to the corresponding keto group.

   

MENADIONE_major

MENADIONE_major

C11H8O2 (172.0524268)


   

2-Heptenedioic acid, 4-oxo-

2-Heptenedioic acid, 4-oxo-

C7H8O5 (172.0371718)


   

3Z-Undecene-5,7,10-triynoic acid

3Z-Undecene-5,7,10-triynoic acid

C11H8O2 (172.0524268)


   

4E-Undecene-6,8,10-triynoic acid

4E-Undecene-6,8,10-triynoic acid

C11H8O2 (172.0524268)


   

Methyl phenylphosphonate

Phenylphosphonic acid, monomethyl ester

C7H9O3P (172.0289294)


   

Bioya

2-amino-3-(5-oxo-2,5-dihydro-1,2-oxazol-2-yl)propanoic acid

C6H8N2O4 (172.0484048)


   

1-Chloro-3,5-dimethoxybenzene

5-Chlororesorcinol dimethyl ether

C8H9ClO2 (172.02910440000002)


   

FA 11:7

3Z,9,10-undecatriene-5,7-diynoic acid

C11H8O2 (172.0524268)


   

Nemotin

Undeca-5,6-diene-8,10-diyn-4-olide

C11H8O2 (172.0524268)


   

SFE 11:7

methyl (2E)-dec-2-en-4,6,8-triynoate

C11H8O2 (172.0524268)


   

cis-DME

methyl dec-2Z-en-4,6,8-triynoate

C11H8O2 (172.0524268)


   

5-chloro-2-ethoxypyridin-3-amine

5-chloro-2-ethoxypyridin-3-amine

C7H9ClN2O (172.0403374)


   

(S)-2-AMINO-3-(THIAZOL-5-YL)PROPANOIC ACID

(S)-2-AMINO-3-(THIAZOL-5-YL)PROPANOIC ACID

C6H8N2O2S (172.0306468)


   

BETA-(2-THIAZOLYL)-DL-ALANINE

BETA-(2-THIAZOLYL)-DL-ALANINE

C6H8N2O2S (172.0306468)


   
   

(1R)-1-(3-Chlorophenyl)-1,2-ethanediol

(1R)-1-(3-Chlorophenyl)-1,2-ethanediol

C8H9ClO2 (172.02910440000002)


   

Methyl 4-methoxythiophene-3-carboxylate

Methyl 4-methoxythiophene-3-carboxylate

C7H8O3S (172.0194138)


   

2,4-Difluoro-3-methoxybenzaldehyde

2,4-Difluoro-3-methoxybenzaldehyde

C8H6F2O2 (172.033584)


   

5-FLUOROIMIDAZO[1,2-A]PYRIDINEHYDROCHLORIDE

5-FLUOROIMIDAZO[1,2-A]PYRIDINEHYDROCHLORIDE

C7H6ClFN2 (172.02035180000001)


   

N-METHOXY-N-METHYL-THIAZOLE-2-CARBOXAMIDE

N-METHOXY-N-METHYL-THIAZOLE-2-CARBOXAMIDE

C6H8N2O2S (172.0306468)


   

4-METHYL-2-(METHYLSULFONYL)PYRIMIDINE

4-METHYL-2-(METHYLSULFONYL)PYRIMIDINE

C6H8N2O2S (172.0306468)


   
   
   

Benzene,[[(chloromethyl)thio]methyl]-

Benzene,[[(chloromethyl)thio]methyl]-

C8H9ClS (172.0113464)


   

2-(6-Chloropyrazin-2-yl)acetic acid

2-(6-Chloropyrazin-2-yl)acetic acid

C6H5ClN2O2 (172.00395400000002)


   

1-CHLORO-2-(CHLOROMETHYL)-3,5-DIOXAHEXANE

1-CHLORO-2-(CHLOROMETHYL)-3,5-DIOXAHEXANE

C5H10Cl2O2 (172.00578200000004)


   

Cyclopentylhydrazine Dihydrochloride

Cyclopentylhydrazine Dihydrochloride

C5H14Cl2N2 (172.0533984)


   

5-(Trifluoromethyl)picolinonitrile

5-(Trifluoromethyl)picolinonitrile

C7H3F3N2 (172.02483139999998)


   

4-methylpyridine-2-sulfonamide

4-methylpyridine-2-sulfonamide

C6H8N2O2S (172.0306468)


   
   

(R)-(-)-(2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE

(R)-(-)-(2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE

C3H12N2O4S (172.0517752)


   

2-Naphthalenecarboxaldehyde,3-hydroxy-

2-Naphthalenecarboxaldehyde,3-hydroxy-

C11H8O2 (172.0524268)


   

4-chloro-2-methoxybenzyl alcohol

4-chloro-2-methoxybenzyl alcohol

C8H9ClO2 (172.02910440000002)


   
   

2-(2-Chloro-5-pyrimidinyl)-2-propanol

2-(2-Chloro-5-pyrimidinyl)-2-propanol

C7H9ClN2O (172.0403374)


   
   

(5-chloro-6-methoxypyridin-3-yl)methanamine

(5-chloro-6-methoxypyridin-3-yl)methanamine

C7H9ClN2O (172.0403374)


   

N-pyridin-2-ylmethanesulfonamide

N-pyridin-2-ylmethanesulfonamide

C6H8N2O2S (172.0306468)


   

1H-Azepine-1-sulfonamide(8CI,9CI)

1H-Azepine-1-sulfonamide(8CI,9CI)

C6H8N2O2S (172.0306468)


   

(2R)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile

(2R)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile

C7H9ClN2O (172.0403374)


   

3-ethoxythiophene-2-carboxylic acid

3-ethoxythiophene-2-carboxylic acid

C7H8O3S (172.0194138)


   

4-Hydroxy-6-methoxymethylpyrimidine-2-thiol

4-Hydroxy-6-methoxymethylpyrimidine-2-thiol

C6H8N2O2S (172.0306468)


   

2,4-difluorobenzoic acid hydrazide

2,4-difluorobenzoic acid hydrazide

C7H6F2N2O (172.04481699999997)


   

3-CHLORO-4-METHOXYBENZYLALCOHOL

3-CHLORO-4-METHOXYBENZYLALCOHOL

C8H9ClO2 (172.02910440000002)


   

2-(furan-2-yl)benzaldehyde

2-(furan-2-yl)benzaldehyde

C11H8O2 (172.0524268)


   

3-FURAN-2-YL-BENZALDEHYDE

3-FURAN-2-YL-BENZALDEHYDE

C11H8O2 (172.0524268)


   

(S)-4-ISOBUTYL-2-OXAZOLIDINONE

(S)-4-ISOBUTYL-2-OXAZOLIDINONE

C7H8O3S (172.0194138)


   

3,5-difluoro-2-methylbenzoic acid

3,5-difluoro-2-methylbenzoic acid

C8H6F2O2 (172.033584)


   
   

4-(chloromethyl)phenyl methyl sulfide

4-(chloromethyl)phenyl methyl sulfide

C8H9ClS (172.0113464)


   

2-AMINO-4-METHOXY-6-METHYLTHIO-S-TRIAZINE

2-AMINO-4-METHOXY-6-METHYLTHIO-S-TRIAZINE

C5H8N4OS (172.04187979999998)


   

2,4-DIFLUORO-N-HYDROXYBENZENECARBOXIMIDAMIDE

2,4-DIFLUORO-N-HYDROXYBENZENECARBOXIMIDAMIDE

C7H6F2N2O (172.04481699999997)


   

2-Chloro-3-(ethoxymethyl)pyrazine

2-Chloro-3-(ethoxymethyl)pyrazine

C7H9ClN2O (172.0403374)


   

3-Chloro-6-ethoxymethyl-pyridazine

3-Chloro-6-ethoxymethyl-pyridazine

C7H9ClN2O (172.0403374)


   

(6-CHLORO-PYRIMIDIN-4-YL)-ISOPROPYL-AMINE

(6-CHLORO-PYRIMIDIN-4-YL)-ISOPROPYL-AMINE

C7H9ClN2O (172.0403374)


   

2-(ISOPROPYLAMINO-METHYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

2-(ISOPROPYLAMINO-METHYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

C7H9ClN2O (172.0403374)


   

(5-Chloro-2-methoxyphenyl)hydrazine

(5-Chloro-2-methoxyphenyl)hydrazine

C7H9ClN2O (172.0403374)


   

4-Oxo-1,2-cyclopentanedicarboxylic acid

4-Oxo-1,2-cyclopentanedicarboxylic acid

C7H8O5 (172.0371718)


   

4-Fluoro-3-methylbenzoyl chloride

4-Fluoro-3-methylbenzoyl chloride

C8H6ClFO (172.0091188)


   
   

Allyl 2,2,3,3-tetrafluoropropyl ether

Allyl 2,2,3,3-tetrafluoropropyl ether

C6H8F4O (172.05112459999998)


   

2-chloro-6-ethoxypyridin-4-amine

2-chloro-6-ethoxypyridin-4-amine

C7H9ClN2O (172.0403374)


   

DIHYDRO-1,3-DIMETHYL-2-THIOXO-4,6(1H,5H)-PYRIMIDINEDIONE

DIHYDRO-1,3-DIMETHYL-2-THIOXO-4,6(1H,5H)-PYRIMIDINEDIONE

C6H8N2O2S (172.0306468)


   

3-(Trifluoromethyl)-2-pyridinecarbonitrile

3-(Trifluoromethyl)-2-pyridinecarbonitrile

C7H3F3N2 (172.02483139999998)


   

(3-Chloro-4-hydroxyphenyl)boronic acid

(3-Chloro-4-hydroxyphenyl)boronic acid

C6H6BClO3 (172.0098506)


   

3-Hydroxybenzamidine hydrochloride

3-Hydroxybenzamidine hydrochloride

C7H9ClN2O (172.0403374)


   

6-(Methylsulfonyl)-3-pyridinamine

6-(Methylsulfonyl)-3-pyridinamine

C6H8N2O2S (172.0306468)


   

4-Chloro-3-hydroxyphenylboronic Acid

4-Chloro-3-hydroxyphenylboronic Acid

C6H6BClO3 (172.0098506)


   

(difluoromethoxy)benzaldehyde

(difluoromethoxy)benzaldehyde

C8H6F2O2 (172.033584)


   
   

METHYL (2,5-DIOXOIMIDAZOLIDIN-4-YL)ACETATE

METHYL (2,5-DIOXOIMIDAZOLIDIN-4-YL)ACETATE

C6H8N2O4 (172.0484048)


   

methyl 5-methoxythiophene-2-carboxylate

methyl 5-methoxythiophene-2-carboxylate

C7H8O3S (172.0194138)


   

4-(Trifluoromethyl)picolinonitrile

4-(Trifluoromethyl)picolinonitrile

C7H3F3N2 (172.02483139999998)


   

Ethyl 2-mercapto-1H-imidazole-4-carboxylate

Ethyl 2-mercapto-1H-imidazole-4-carboxylate

C6H8N2O2S (172.0306468)


   

5-Ethynyl-2-benzofuran-1,3-dione

5-Ethynyl-2-benzofuran-1,3-dione

C10H4O3 (172.0160434)


   

1-(2-Chloro-4-fluorophenyl)ethanone

1-(2-Chloro-4-fluorophenyl)ethanone

C8H6ClFO (172.0091188)


   

3,4-DIFLUOROBENZOIC ACID HYDRAZIDE

3,4-DIFLUOROBENZOIC ACID HYDRAZIDE

C7H6F2N2O (172.04481699999997)


   

p-Tolyl-Phosphonic Acid

p-Tolyl-Phosphonic Acid

C7H9O3P (172.0289294)


   

1-Methyl-L-4,5-dihydroorotic acid

1-Methyl-L-4,5-dihydroorotic acid

C6H8N2O4 (172.0484048)


   

Lithium tetraborate

Lithium tetraborate

B4H2Li2O7 (172.0492842)


   

(4-Chloro-3-methoxyphenyl)methanol

(4-Chloro-3-methoxyphenyl)methanol

C8H9ClO2 (172.02910440000002)


   

methyl 4-hydroxy-2-methylthiophene-3-carboxylate

methyl 4-hydroxy-2-methylthiophene-3-carboxylate

C7H8O3S (172.0194138)


   

4-Aminothiazole-5-Carboxylic Acid Ethyl Ester

4-Aminothiazole-5-Carboxylic Acid Ethyl Ester

C6H8N2O2S (172.0306468)


   

5-Phenyl-2-furaldehyde

5-Phenyl-2-furaldehyde

C11H8O2 (172.0524268)


   

(2-chloro-6-methoxypyridin-3-yl)methanamine

(2-chloro-6-methoxypyridin-3-yl)methanamine

C7H9ClN2O (172.0403374)


   

1-(2-Pyrrolidinyl)methanamine dihydrochloride

1-(2-Pyrrolidinyl)methanamine dihydrochloride

C5H14Cl2N2 (172.0533984)


   

(1R)-1-(4-Chlorophenyl)-1,2-ethanediol

(1R)-1-(4-Chlorophenyl)-1,2-ethanediol

C8H9ClO2 (172.02910440000002)


   

3-(Difluoromethoxy)benzaldehyde

3-(Difluoromethoxy)benzaldehyde

C8H6F2O2 (172.033584)


   

2,3-Difluoro-4-methoxybenzaldehyde

2,3-Difluoro-4-methoxybenzaldehyde

C8H6F2O2 (172.033584)


   

4-Chloro-3-fluoroacetophenone

4-Chloro-3-fluoroacetophenone

C8H6ClFO (172.0091188)


   

3-Chloro-2-fluoroacetophenone

3-Chloro-2-fluoroacetophenone

C8H6ClFO (172.0091188)


   

6-(trifluoromethyl)pyridine-2-carbonitrile

6-(trifluoromethyl)pyridine-2-carbonitrile

C7H3F3N2 (172.02483139999998)


   

Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate

Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate

C6H8N2O2S (172.0306468)


   

4-Hydroxynaphthalene-2-carboxaldehyde

4-Hydroxynaphthalene-2-carboxaldehyde

C11H8O2 (172.0524268)


   

2,4-Difluoro-3-methylbenzoic acid

2,4-Difluoro-3-methylbenzoic acid

C8H6F2O2 (172.033584)


   

4-FURAN-2-YL-BENZALDEHYDE

4-FURAN-2-YL-BENZALDEHYDE

C11H8O2 (172.0524268)


   

ISOPROPYLHYDRAZINE SULFATE

ISOPROPYLHYDRAZINE SULFATE

C3H12N2O4S (172.0517752)


   

3-Chloro-4-fluoroacetophenone

3-Chloro-4-fluoroacetophenone

C8H6ClFO (172.0091188)


   

(2,3-Dihydrothieno[3,4-b][1,4]dioxin-2-yl)methanol

(2,3-Dihydrothieno[3,4-b][1,4]dioxin-2-yl)methanol

C7H8O3S (172.0194138)


   

6-CHLORO-N4,N4-DIMETHYL-PYRIMIDINE-4,5-DIAMINE

6-CHLORO-N4,N4-DIMETHYL-PYRIMIDINE-4,5-DIAMINE

C6H9ClN4 (172.0515704)


   

5-Fluoro-o-toluoyl chloride

5-Fluoro-o-toluoyl chloride

C8H6ClFO (172.0091188)


   

Pyrazinecarboximidamide,3-chloro-N-hydroxy-

Pyrazinecarboximidamide,3-chloro-N-hydroxy-

C5H5ClN4O (172.015187)


   

2,3-dioxo-1H-indole-7-carbonitrile

2,3-dioxo-1H-indole-7-carbonitrile

C9H4N2O2 (172.0272764)


   

4-Amino-2-(methylsulfonyl)pyridine

4-Amino-2-(methylsulfonyl)pyridine

C6H8N2O2S (172.0306468)


   

2,4-Pyrimidinediamine,6-chloro-N4,N4-dimethyl-

2,4-Pyrimidinediamine,6-chloro-N4,N4-dimethyl-

C6H9ClN4 (172.0515704)


   

4-Hydroxy-1-naphthaldehyde

4-Hydroxy-1-naphthaldehyde

C11H8O2 (172.0524268)


   

2-Chloro-4-ethoxy-6-methylpyrimidine

2-Chloro-4-ethoxy-6-methylpyrimidine

C7H9ClN2O (172.0403374)


   

1-(4-HYDROXYPHENYL)-3-(2,3,4-TRIMETHOXYPHENYL)-2-PROPEN-1-ONE

1-(4-HYDROXYPHENYL)-3-(2,3,4-TRIMETHOXYPHENYL)-2-PROPEN-1-ONE

C9H7F3 (172.0499818)


   

3-Fluoro-2-methoxy-5-nitropyridine

3-Fluoro-2-methoxy-5-nitropyridine

C6H5FN2O3 (172.0284192)


   
   

(5-Amino-6-chloropyridin-3-yl)boronic acid

(5-Amino-6-chloropyridin-3-yl)boronic acid

C5H6BClN2O2 (172.0210836)


   

4-FLUORO-2-METHYLBENZOYL CHLORIDE

4-FLUORO-2-METHYLBENZOYL CHLORIDE

C8H6ClFO (172.0091188)


   

PYRIDIN-3-YL-METHANESULFONAMIDE

PYRIDIN-3-YL-METHANESULFONAMIDE

C6H8N2O2S (172.0306468)


   

2-(2-chloro-4-fluorophenyl)acetaldehyde

2-(2-chloro-4-fluorophenyl)acetaldehyde

C8H6ClFO (172.0091188)


   

5-CYANOPHTHALIMIDE

5-CYANOPHTHALIMIDE

C9H4N2O2 (172.0272764)


   
   

4-Pyridinecarboximidic acid, hydrazide HCl

4-Pyridinecarboximidic acid, hydrazide HCl

C6H9ClN4 (172.0515704)


   

2,5-Thiophenediboronic acid

2,5-Thiophenediboronic acid

C4H6B2O4S (172.0172896)


   

Methyl 3,4-difluorobenzoate

Methyl 3,4-difluorobenzoate

C8H6F2O2 (172.033584)


   

4,5-Difluoro-2-methylbenzoic acid

4,5-Difluoro-2-methylbenzoic acid

C8H6F2O2 (172.033584)


   

4-Vinylbenzotrifluoride

4-Vinylbenzotrifluoride

C9H7F3 (172.0499818)


   

2,6-Difluoro-3-methoxybenzaldehyde

2,6-Difluoro-3-methoxybenzaldehyde

C8H6F2O2 (172.033584)


   

6-fluoro-2,3-dihydroxybenzoic acid

6-fluoro-2,3-dihydroxybenzoic acid

C7H5FO4 (172.0171862)


   

Benzo[1,2-d:4,5-d]diimidazol-2(1H)-one (6CI)

Benzo[1,2-d:4,5-d]diimidazol-2(1H)-one (6CI)

C8H4N4O (172.03850939999998)


   

2,5-Difluoro-4-methylbenzoic acid

2,5-Difluoro-4-methylbenzoic acid

C8H6F2O2 (172.033584)


   

2,4-Difluoro-5-methylbenzoic acid

2,4-Difluoro-5-methylbenzoic acid

C8H6F2O2 (172.033584)


   

3,4-Difluoro-2-methylbenzoic acid

3,4-Difluoro-2-methylbenzoic acid

C8H6F2O2 (172.033584)


   

2-amino-4,6-dihydroxy-5-nitropyrimidine

2-amino-4,6-dihydroxy-5-nitropyrimidine

C4H4N4O4 (172.02325439999998)


   

2,3-difluoro-6-methoxybenzaldehyde

2,3-difluoro-6-methoxybenzaldehyde

C8H6F2O2 (172.033584)


   

1-Methylpiperazine dihydrochloride

1-Methylpiperazine dihydrochloride

C5H14Cl2N2 (172.0533984)


   

(3-NITRO-[1,2,4]TRIAZOL-1-YL)-ACETIC ACID

(3-NITRO-[1,2,4]TRIAZOL-1-YL)-ACETIC ACID

C4H4N4O4 (172.02325439999998)


   

2-Pyridinesulfonamide,6-methyl-

2-Pyridinesulfonamide,6-methyl-

C6H8N2O2S (172.0306468)


   

1,3-Cyclobutanedithione,2,2,4,4-tetramethyl-

1,3-Cyclobutanedithione,2,2,4,4-tetramethyl-

C8H12S2 (172.0380392)


   

1,2,3-Thiadiazole-5-carboxylicacid,4-(1-methylethyl)-(9CI)

1,2,3-Thiadiazole-5-carboxylicacid,4-(1-methylethyl)-(9CI)

C6H8N2O2S (172.0306468)


   

Methyl 2-amino-5-methylthiazole-4-carboxylate

Methyl 2-amino-5-methylthiazole-4-carboxylate

C6H8N2O2S (172.0306468)


   

Methyl 3-hydroxy-5-methyl-2-thiophenecarboxylate

Methyl 3-hydroxy-5-methyl-2-thiophenecarboxylate

C7H8O3S (172.0194138)


   
   

[3-(Difluoromethyl)phenyl]boronic acid

[3-(Difluoromethyl)phenyl]boronic acid

C7H7BF2O2 (172.05071360000002)


   

Methyl 2-amino-4-methylthiazole-5-carboxylate

Methyl 2-amino-4-methylthiazole-5-carboxylate

C6H8N2O2S (172.0306468)


   

2-Chloro-6-fluoroacetophenone

2-Chloro-6-fluoroacetophenone

C8H6ClFO (172.0091188)


   

1,3,5-trimethylpyrazole-4-carbonyl chloride

1,3,5-trimethylpyrazole-4-carbonyl chloride

C7H9ClN2O (172.0403374)


   

2-(Difluoromethyl)benzoic acid

2-(Difluoromethyl)benzoic acid

C8H6F2O2 (172.033584)


   

2-methylisourea sulphate

2-methylisourea sulphate

C2H8N2O5S (172.0153918)


   

1,3-Dinitro(2H4)benzene

1,3-Dinitro(2H4)benzene

C6D4N2O4 (172.042215112)


   

Ethyl 5-methyl-1,3,4-thiadiazole-2-carboxylate

Ethyl 5-methyl-1,3,4-thiadiazole-2-carboxylate

C6H8N2O2S (172.0306468)


   

Methyl 4-(hydroxymethyl)thiophene-2-carboxylate

Methyl 4-(hydroxymethyl)thiophene-2-carboxylate

C7H8O3S (172.0194138)


   

2,6-Difluoro-4-methylbenzoic acid

2,6-Difluoro-4-methylbenzoic acid

C8H6F2O2 (172.033584)


   

Acetamide, N-[4-(hydroxymethyl)-2-thiazolyl]-

Acetamide, N-[4-(hydroxymethyl)-2-thiazolyl]-

C6H8N2O2S (172.0306468)


   
   

(3aR,4R,7aR)-4-(hydroxymethyl)-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one

(3aR,4R,7aR)-4-(hydroxymethyl)-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one

C7H8O5 (172.0371718)


   

2,6-Difluoro-4-methoxybenzaldehyde

2,6-Difluoro-4-methoxybenzaldehyde

C8H6F2O2 (172.033584)


   

1H-Imidazole-4-carbonyl chloride, 2-propyl- (9CI)

1H-Imidazole-4-carbonyl chloride, 2-propyl- (9CI)

C7H9ClN2O (172.0403374)


   

Bicyclo[2.2.1]hept-5-ene-2-carboxylicacid, 2-chloro-, endo- (9CI)

Bicyclo[2.2.1]hept-5-ene-2-carboxylicacid, 2-chloro-, endo- (9CI)

C8H9ClO2 (172.02910440000002)


   

5-propyl-1H-imidazole-4-carbonyl chloride

5-propyl-1H-imidazole-4-carbonyl chloride

C7H9ClN2O (172.0403374)


   

(S)-4-(2-AMINOCARBONYLETHYL)OXAZOLIDINE-2,5-DIONE

(S)-4-(2-AMINOCARBONYLETHYL)OXAZOLIDINE-2,5-DIONE

C6H8N2O4 (172.0484048)


   
   

4-Amidinophenol hydrochloride

4-Amidinophenol hydrochloride

C7H9ClN2O (172.0403374)


   

2,6-DIFLUORO-N-HYDROXY-BENZAMIDINE

2,6-DIFLUORO-N-HYDROXY-BENZAMIDINE

C7H6F2N2O (172.04481699999997)


   

2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol

2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol

C7H8O3S (172.0194138)


   

Benzylphosphonic acid

Benzylphosphonic acid

C7H9O3P (172.0289294)


   

4,5-Difluoro-2-methoxybenzaldehyde

4,5-Difluoro-2-methoxybenzaldehyde

C8H6F2O2 (172.033584)


   

2,2,2-trifluoroethyl-2-fluoroacrylate

2,2,2-trifluoroethyl-2-fluoroacrylate

C5H4F4O2 (172.0147412)


   

2,4(1H,3H)-Pyrimidinedione,6-amino-5-nitro-

2,4(1H,3H)-Pyrimidinedione,6-amino-5-nitro-

C4H4N4O4 (172.02325439999998)


   

5-Amino-2-mercapto-1-methyl-1H-imidazole-4-carboxamide

5-Amino-2-mercapto-1-methyl-1H-imidazole-4-carboxamide

C5H8N4OS (172.04187979999998)


   

2,4-DIFLUORO-2-HYDROXYACETOPHENONE

2,4-DIFLUORO-2-HYDROXYACETOPHENONE

C8H6F2O2 (172.033584)


   

1H-Pyrazole, 1-(chloroacetyl)-3,5-dimethyl- (9CI)

1H-Pyrazole, 1-(chloroacetyl)-3,5-dimethyl- (9CI)

C7H9ClN2O (172.0403374)


   

1-(3,5-Difluoro-4-hydroxyphenyl)ethanone

1-(3,5-Difluoro-4-hydroxyphenyl)ethanone

C8H6F2O2 (172.033584)


   

2,2-DIFLUORO-5-METHYLBENZO[D][1,3]DIOXOLE

2,2-DIFLUORO-5-METHYLBENZO[D][1,3]DIOXOLE

C8H6F2O2 (172.033584)


   

3-Chloro-5-hydroxyphenylboronic acid

3-Chloro-5-hydroxyphenylboronic acid

C6H6BClO3 (172.0098506)


   

3,6-Difluoro-2-methoxybenzaldehyde

3,6-Difluoro-2-methoxybenzaldehyde

C8H6F2O2 (172.033584)


   

5-FLUORO-4-METHYL-3-NITROPYRIDIN-2-OL

5-FLUORO-4-METHYL-3-NITROPYRIDIN-2-OL

C6H5FN2O3 (172.0284192)


   

3-Amino-6-chloro-2-pyrazinecarboxamide

3-Amino-6-chloro-2-pyrazinecarboxamide

C5H5ClN4O (172.015187)


   

2-Aminobenzenesulfonamide

2-Aminobenzenesulfonamide

C6H8N2O2S (172.0306468)


   

1-(2,4-DIFLUORO-3-HYDROXYPHENYL)-ETHANONE

1-(2,4-DIFLUORO-3-HYDROXYPHENYL)-ETHANONE

C8H6F2O2 (172.033584)


   

2-Chloro-6-fluoro-3-methylbenzaldehyde

2-Chloro-6-fluoro-3-methylbenzaldehyde

C8H6ClFO (172.0091188)


   

((2-CHLOROETHYL)THIO)BENZENE

((2-CHLOROETHYL)THIO)BENZENE

C8H9ClS (172.0113464)


   

1-(2-METHOXYBENZYL)HYDRAZINE

1-(2-METHOXYBENZYL)HYDRAZINE

C6H8N2O4 (172.0484048)


   

Methyl 4,5-diaminothiophene-2-carboxylate

Methyl 4,5-diaminothiophene-2-carboxylate

C6H8N2O2S (172.0306468)


   

5,6-Difluoro-2,1,3-benzoxadiazole 1-oxide

5,6-Difluoro-2,1,3-benzoxadiazole 1-oxide

C6H2F2N2O2 (172.00843360000002)


   

2-trifluoromethyl-3-cyanopyridine

2-trifluoromethyl-3-cyanopyridine

C7H3F3N2 (172.02483139999998)


   
   

2-Chloro-3-(fluoromethyl)benzaldehyde

2-Chloro-3-(fluoromethyl)benzaldehyde

C8H6ClFO (172.0091188)


   

3-Aminobenzenesulfonamide

3-Aminobenzenesulfonamide

C6H8N2O2S (172.0306468)


   
   
   

nicotinamide chloromethylate

3-Carbamyl-1-methylpyridinium chloride

C7H9ClN2O (172.0403374)


TRIA-662 (1-Methylnicotinamide chloride) is an endogenous metabolite. TRIA-662 shows antithrombotic and anti-inflammatory activities[1].

   

6-Amino-5-nitroso-2-sulfanylpyrimidin-4-ol

6-Amino-5-nitroso-2-sulfanylpyrimidin-4-ol

C4H4N4O2S (172.0054964)


   

3-hydroxy-3-methyl-4,4,4-trifluorobutyric acid

3-hydroxy-3-methyl-4,4,4-trifluorobutyric acid

C5H7F3O3 (172.0347268)


   

4-(Difluoromethyl)benzoic acid

4-(Difluoromethyl)benzoic acid

C8H6F2O2 (172.033584)


   

5-Methylpyridine-3,4-diamine

5-Methylpyridine-3,4-diamine

C6H5FN2O3 (172.0284192)


   

4-(Trifluoromethyl)nicotinonitrile

4-(Trifluoromethyl)nicotinonitrile

C7H3F3N2 (172.02483139999998)


   

4-Chloro-6-isopropoxypyrimidine

4-Chloro-6-isopropoxypyrimidine

C7H9ClN2O (172.0403374)


   

(S)-3-Aminopiperidine dihydrochloride

(S)-3-Aminopiperidine dihydrochloride

C5H14Cl2N2 (172.0533984)


   

(3R)-Piperidin-3-amindihydrochlorid

(3R)-Piperidin-3-amindihydrochlorid

C5H14Cl2N2 (172.0533984)


   

(R)-3-Aminopiperidine dihydrochloride

(R)-3-Aminopiperidine dihydrochloride

C5H14Cl2N2 (172.0533984)


   

2-(Difluoromethoxy)benzaldehyde

2-(Difluoromethoxy)benzaldehyde

C8H6F2O2 (172.033584)


   

2-(Methylsulfonyl)-5-methylpyrimidine ,97

2-(Methylsulfonyl)-5-methylpyrimidine ,97

C6H8N2O2S (172.0306468)


   

2-Amino-6-fluoro-4-nitrophenol

2-Amino-6-fluoro-4-nitrophenol

C6H5FN2O3 (172.0284192)


   

4-FLUORO-2,6-BIS-HYDROXYMETHYL-PHENOL

4-FLUORO-2,6-BIS-HYDROXYMETHYL-PHENOL

C8H9FO3 (172.0535696)


   

2-Amino-5-(methylsulfonyl)pyridine

2-Amino-5-(methylsulfonyl)pyridine

C6H8N2O2S (172.0306468)


   

2,3-dihydro-2,3-dioxo-1H-Indole-5-carbonitrile

2,3-dihydro-2,3-dioxo-1H-Indole-5-carbonitrile

C9H4N2O2 (172.0272764)


   

Methyl 3-methoxythiophene-2-carboxylate

Methyl 3-methoxythiophene-2-carboxylate

C7H8O3S (172.0194138)


   

3-Fluoro-4-methylbenzoyl chloride

3-Fluoro-4-methylbenzoyl chloride

C8H6ClFO (172.0091188)


   

3,4-Difluoro phenyl acetic acid

3,4-Difluoro phenyl acetic acid

C8H6F2O2 (172.033584)


   

2,5-Difluorophenylacetic acid

2,5-Difluorophenylacetic acid

C8H6F2O2 (172.033584)


   

2,4-Difluorophenylacetic acid

2,4-Difluorophenylacetic acid

C8H6F2O2 (172.033584)


   

2,6-Difluorophenylacetic acid

(2,6-Difluorophenyl)acetic acid

C8H6F2O2 (172.033584)


   

2-(2,3-Difluorophenyl)acetic acid

2-(2,3-Difluorophenyl)acetic acid

C8H6F2O2 (172.033584)


   
   

4-CHLOROBENZYL METHYL SULFIDE

4-CHLOROBENZYL METHYL SULFIDE

C8H9ClS (172.0113464)


   

(2R)-2-Methylpiperazine dihydrochloride

(2R)-2-Methylpiperazine dihydrochloride

C5H14Cl2N2 (172.0533984)


   

3-Methyl-pyridine-2-sulfonic acid amide

3-Methyl-pyridine-2-sulfonic acid amide

C6H8N2O2S (172.0306468)


   

Loprodiol

2,2-bis(chloromethyl)propane-1,3-diol

C5H10Cl2O2 (172.00578200000004)


C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent

   

2,3-Difluoro-4-methylbenzoic acid

2,3-Difluoro-4-methylbenzoic acid

C8H6F2O2 (172.033584)


   

2-Chloro-1-(3-fluorophenyl)ethanone

2-Chloro-1-(3-fluorophenyl)ethanone

C8H6ClFO (172.0091188)


   

6-Hydroxy-2-naphthaldehyde

6-Hydroxy-2-naphthaldehyde

C11H8O2 (172.0524268)


   

Difluoro(phenyl)acetic acid

Difluoro(phenyl)acetic acid

C8H6F2O2 (172.033584)


   

2-(METHYLSULFONYL)PYRIDIN-3-AMINE

2-(METHYLSULFONYL)PYRIDIN-3-AMINE

C6H8N2O2S (172.0306468)


   

3-(1,3-Thiazol-4-yl)-L-alanine

3-(1,3-Thiazol-4-yl)-L-alanine

C6H8N2O2S (172.0306468)


   

2-amino-1-pyridin-3-ylethanone,hydrochloride

2-amino-1-pyridin-3-ylethanone,hydrochloride

C7H9ClN2O (172.0403374)


   

2-Amino-4-methyl-1,3-thiazole-5-carbohydrazide

2-Amino-4-methyl-1,3-thiazole-5-carbohydrazide

C5H8N4OS (172.04187979999998)


   

2-(METHYLSULFONYL)PHENOL

2-(METHYLSULFONYL)PHENOL

C7H8O3S (172.0194138)


   

Ethyl 3,3,3-trifluoro-2-hydroxy-propionate

Ethyl 3,3,3-trifluoro-2-hydroxy-propionate

C5H7F3O3 (172.0347268)


   

1-(5-Chloro-2-fluorophenyl)ethanone

1-(5-Chloro-2-fluorophenyl)ethanone

C8H6ClFO (172.0091188)


   

2,5-Difluoro-4-methoxybenzaldehyde

2,5-Difluoro-4-methoxybenzaldehyde

C8H6F2O2 (172.033584)


   

Methyl (2-amino-1,3-thiazol-4-yl)acetate

Methyl (2-amino-1,3-thiazol-4-yl)acetate

C6H8N2O2S (172.0306468)


   

2,5-Dioxopyrrolidin-1-yl methylcarbamate

1-[(Methylcarbamoyl)oxy]-2,5-pyrrolidinedione

C6H8N2O4 (172.0484048)


   

4,6-DIMETHOXYPYRIMIDINE-2-THIOL

4,6-DIMETHOXYPYRIMIDINE-2-THIOL

C6H8N2O2S (172.0306468)


   

5-Methyl-2-pyridinesulfonamide

5-Methyl-2-pyridinesulfonamide

C6H8N2O2S (172.0306468)


   

2-(4-FLUOROBENZYLIDENE)-MALONONITRILE

2-(4-FLUOROBENZYLIDENE)-MALONONITRILE

C10H5FN2 (172.0436742)


   

5-Diazo-2,2-dimethyl-1,3-dioxane-4,6-dione

5-Diazo-2,2-dimethyl-1,3-dioxane-4,6-dione

C6H8N2O4 (172.0484048)


   

[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]ACETIC ACID

[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]ACETIC ACID

C6H8N2O2S (172.0306468)


   

methyl 2,3,3-trifluoro-3-methoxypropanoate

methyl 2,3,3-trifluoro-3-methoxypropanoate

C5H7F3O3 (172.0347268)


   

1-(Trifluoromethyl)-3-vinylbenzene

1-(Trifluoromethyl)-3-vinylbenzene

C9H7F3 (172.0499818)


   

5-methoxy-2-(methylthio)pyrimidin-4-ol

5-methoxy-2-(methylthio)pyrimidin-4-ol

C6H8N2O2S (172.0306468)


   

4,5,7-trifluoro-3H-benzoimidazole

4,5,7-trifluoro-3H-benzoimidazole

C7H3F3N2 (172.02483139999998)


   

(6-CHLORO-4-(METHYLAMINO)PYRIDIN-3-YL)METHANOL

(6-CHLORO-4-(METHYLAMINO)PYRIDIN-3-YL)METHANOL

C7H9ClN2O (172.0403374)


   

5-METHYLPYRAZINE-2-CARBOXIMIDAMIDE HYDROCHLORIDE

5-METHYLPYRAZINE-2-CARBOXIMIDAMIDE HYDROCHLORIDE

C6H9ClN4 (172.0515704)


   

(2-chloro-5-methoxyphenyl)methanol

(2-chloro-5-methoxyphenyl)methanol

C8H9ClO2 (172.02910440000002)


   

2-CHLORO-4-ETHOXYMETHYL-PYRIMIDINE

2-CHLORO-4-ETHOXYMETHYL-PYRIMIDINE

C7H9ClN2O (172.0403374)


   

N-Hydroxybenzenecarboximidamide hydrochloride (1:1)

N-Hydroxybenzenecarboximidamide hydrochloride (1:1)

C7H9ClN2O (172.0403374)


   

N-(4,5-dihydro-4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)-Acetamide

N-(4,5-dihydro-4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)-Acetamide

C5H8N4OS (172.04187979999998)


   

1-Acetyl-5-methyl-2-thioxo-4-imidazolidinone

1-Acetyl-5-methyl-2-thioxo-4-imidazolidinone

C6H8N2O2S (172.0306468)


   
   

4-Fluorophenacyl chloride

4-Fluorophenacyl chloride

C8H6ClFO (172.0091188)


   

methyl 2,3-difluorobenzoate

methyl 2,3-difluorobenzoate

C8H6F2O2 (172.033584)


   

5-(Trifluoromethyl)nicotinonitrile

5-(Trifluoromethyl)nicotinonitrile

C7H3F3N2 (172.02483139999998)


   

Diethyl chlorophosphate

Diethyl chlorophosphate

C4H10ClO3P (172.005607)


   

1-(2-Fluoro-4-hydroxy-5-methoxyphenyl)ethanone

1-(2-Fluoro-4-hydroxy-5-methoxyphenyl)ethanone

C8H9FO3 (172.0535696)


   

(2S)-2-[[2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL]AMINO]-3-METHYL-BUTANOATE

(2S)-2-[[2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL]AMINO]-3-METHYL-BUTANOATE

C5H14Cl2N2 (172.0533984)


   

2-(2-fluorophenyl)-acetyl-chloride

2-(2-fluorophenyl)-acetyl-chloride

C8H6ClFO (172.0091188)


   

3-FLUOROPHENYLACETYL CHLORIDE

3-FLUOROPHENYLACETYL CHLORIDE

C8H6ClFO (172.0091188)


   

4-Fluorophenylacetyl chloride

4-Fluorophenylacetyl chloride

C8H6ClFO (172.0091188)


   

3,4,5-Trihydroxybenzaldehyde hydrate (1:1)

3,4,5-Trihydroxybenzaldehyde hydrate (1:1)

C7H8O5 (172.0371718)


   

(S)-Propane-1,2-diamine sulfate

(S)-Propane-1,2-diamine sulfate

C3H12N2O4S (172.0517752)


   

5-Chloropyrazine-2-carboxylic acid hydrazide

5-Chloropyrazine-2-carboxylic acid hydrazide

C5H5ClN4O (172.015187)


   
   

Methyl 3-nitro-1H-1,2,4-triazole-5-carboxylate

Methyl 3-nitro-1H-1,2,4-triazole-5-carboxylate

C4H4N4O4 (172.02325439999998)


   

(3-bromothiophen-2-yl)methanol

(3-bromothiophen-2-yl)methanol

C7H9ClN2O (172.0403374)


   

3-Carboxy-alpha,alpha-difluorotoluene, 3-Carboxybenzal fluoride

3-Carboxy-alpha,alpha-difluorotoluene, 3-Carboxybenzal fluoride

C8H6F2O2 (172.033584)


   

1-CHLORO-4-(ETHYLTHIO)BENZENE

1-CHLORO-4-(ETHYLTHIO)BENZENE

C8H9ClS (172.0113464)


   
   

2-Fluoro-5-methylbenzoyl chloride

2-Fluoro-5-methylbenzoyl chloride

C8H6ClFO (172.0091188)


   

1-(2-Amino-2-oxoethyl)pyridinium chloride

1-(2-Amino-2-oxoethyl)pyridinium chloride

C7H9ClN2O (172.0403374)


   

6-(Trifluoromethyl)nicotinonitrile

6-(Trifluoromethyl)nicotinonitrile

C7H3F3N2 (172.02483139999998)


   

2-(Trifluoromethyl)isonicotinonitrile

2-(Trifluoromethyl)isonicotinonitrile

C7H3F3N2 (172.02483139999998)


   

(5-Chloro-2-hydroxyphenyl)boronic acid

(5-Chloro-2-hydroxyphenyl)boronic acid

C6H6BClO3 (172.0098506)


   

titanium(iv) methoxide

titanium(iv) methoxide

C4H12O4Ti (172.0215022)


   

(Diaminomethylene)hydrazinium hydrogen sulfate

(Diaminomethylene)hydrazinium hydrogen sulfate

CH8N4O4S (172.0266248)


   

2-Toluenesulfonic acid

2-Methylbenzenesulfonic acid

C7H8O3S (172.0194138)


   

METHYL 3-HYDRAZINOTHIOPHENE-2-CARBOXYLATE

METHYL 3-HYDRAZINOTHIOPHENE-2-CARBOXYLATE

C6H8N2O2S (172.0306468)


   

Ethyl 2-aminothiazole-4-carboxylate

Ethyl 2-aminothiazole-4-carboxylate

C6H8N2O2S (172.0306468)


   

((1E,3E)-4-CHLORO-BUTA-1,3-DIENYL)-BENZENE

((1E,3E)-4-CHLORO-BUTA-1,3-DIENYL)-BENZENE

C10H5FN2 (172.0436742)


   
   

METHYL 3,5-DIFLUOROBENZOATE

METHYL 3,5-DIFLUOROBENZOATE

C8H6F2O2 (172.033584)


   

4-(Difluoromethoxy)benzaldehyde

4-(Difluoromethoxy)benzaldehyde

C8H6F2O2 (172.033584)


   

(2-Chloro-5-hydroxyphenyl)boronic acid

(2-Chloro-5-hydroxyphenyl)boronic acid

C6H6BClO3 (172.0098506)


   

CHLOROMETHYL P-TOLYL SULFIDE

CHLOROMETHYL P-TOLYL SULFIDE

C8H9ClS (172.0113464)


   

Methyl 2,4-difluorobenzoate

Methyl 2,4-difluorobenzoate

C8H6F2O2 (172.033584)


   

Methyl 2,6-difluorobenzoate

Methyl 2,6-difluorobenzoate

C8H6F2O2 (172.033584)


   

Benzoic acid, 2,3-difluoro-, hydrazide (9CI)

Benzoic acid, 2,3-difluoro-, hydrazide (9CI)

C7H6F2N2O (172.04481699999997)


   

Pyridazine,3-chloro-6-propoxy-

Pyridazine,3-chloro-6-propoxy-

C7H9ClN2O (172.0403374)


   

Pralidoxime chloride

2-Pyridinealdoxime methochloride

C7H9ClN2O (172.0403374)


D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002801 - Cholinesterase Reactivators C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist D020011 - Protective Agents > D000931 - Antidotes D004793 - Enzyme Reactivators

   

4(1H)-Pyrimidinone,2,3-dihydro-5-(2-hydroxyethyl)-2-thioxo-

4(1H)-Pyrimidinone,2,3-dihydro-5-(2-hydroxyethyl)-2-thioxo-

C6H8N2O2S (172.0306468)


   

Benzoyl chloride, 2-fluoro-4-methyl- (9CI)

Benzoyl chloride, 2-fluoro-4-methyl- (9CI)

C8H6ClFO (172.0091188)


   

5-(2-hydroxyethyl)thiophene-2-carboxylic acid

5-(2-hydroxyethyl)thiophene-2-carboxylic acid

C7H8O3S (172.0194138)


   

3-Hydroxynaphthalene-1-carboxaldehyde

3-Hydroxynaphthalene-1-carboxaldehyde

C11H8O2 (172.0524268)


   

3-methoxy-5-methylthiophene-2-carboxylic acid

3-methoxy-5-methylthiophene-2-carboxylic acid

C7H8O3S (172.0194138)


   

3,5-Difluoro-2-methoxybenzaldehyde

3,5-Difluoro-2-methoxybenzaldehyde

C8H6F2O2 (172.033584)


   

1,3-dihydro-imidazol-2-one-5-methoxymethyl-4-carboxylic acid

1,3-dihydro-imidazol-2-one-5-methoxymethyl-4-carboxylic acid

C6H8N2O4 (172.0484048)


   

cyclobutylmethylhydrazine dihydrochloride

cyclobutylmethylhydrazine dihydrochloride

C5H14Cl2N2 (172.0533984)


   

4-methoxythiophene-3-carbohydrazide

4-methoxythiophene-3-carbohydrazide

C6H8N2O2S (172.0306468)


   

4-(methoxymethyl)thiophene-2-carboxylic acid

4-(methoxymethyl)thiophene-2-carboxylic acid

C7H8O3S (172.0194138)


   

1H-Imidazole-2-carbonyl chloride, 1-propyl- (9CI)

1H-Imidazole-2-carbonyl chloride, 1-propyl- (9CI)

C7H9ClN2O (172.0403374)


   

ethyl 3-hydroxythiophene-2-carboxylate

ethyl 3-hydroxythiophene-2-carboxylate

C7H8O3S (172.0194138)


   

Dihydroorotate Acid Methyl Ester

Dihydroorotate Acid Methyl Ester

C6H8N2O4 (172.0484048)


   

Chlorophetanol

2-(4-Chlorophenoxy)ethanol

C8H9ClO2 (172.02910440000002)


D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use

   

1-(Trifluoromethyl)-2-vinylbenzene

1-(Trifluoromethyl)-2-vinylbenzene

C9H7F3 (172.0499818)


   

3,5-Difluoro-2-hydroxyacetophenone

3,5-Difluoro-2-hydroxyacetophenone

C8H6F2O2 (172.033584)


   

(1S)-1-(2-Chlorophenyl)-1,2-ethanediol

(1S)-1-(2-Chlorophenyl)-1,2-ethanediol

C8H9ClO2 (172.02910440000002)


   

(3-chloro-2-hydroxyphenyl)boronic acid

(3-chloro-2-hydroxyphenyl)boronic acid

C6H6BClO3 (172.0098506)


   

2-Hydroxy-1-naphthaldehyde

2-Hydroxy-1-naphthaldehyde

C11H8O2 (172.0524268)


   

(3-Chloro-5-methoxyphenyl)methanol

(3-Chloro-5-methoxyphenyl)methanol

C8H9ClO2 (172.02910440000002)


   

2-Difluoromethyl-benzeneboronic acid

2-Difluoromethyl-benzeneboronic acid

C7H7BF2O2 (172.05071360000002)


   

1,1,1,2,3-Pentafluoro-2,5-hexadiene

1,1,1,2,3-Pentafluoro-2,5-hexadiene

C6H5F5 (172.031139)


   

1-(4-chlorophenyl)-2-fluoroethanone

1-(4-chlorophenyl)-2-fluoroethanone

C8H6ClFO (172.0091188)


   

Methyl carbamimidate sulfate

Methyl carbamimidate sulfate

C2H8N2O5S (172.0153918)


   

METHYL 2,5-DIFLUOROBENZOATE

METHYL 2,5-DIFLUOROBENZOATE

C8H6F2O2 (172.033584)


   

5-METHYL-4-NITRO-3-ISOXAZOLECARBOXYLIC ACID

5-METHYL-4-NITRO-3-ISOXAZOLECARBOXYLIC ACID

C5H4N2O5 (172.01202139999998)


   

3-(trifluoromethyl)styrene

3-(trifluoromethyl)styrene

C9H7F3 (172.0499818)


   

1-(Chloroacetyl)-2-pyrrolidinecarbonitrile

1-(Chloroacetyl)-2-pyrrolidinecarbonitrile

C7H9ClN2O (172.0403374)


   

1,4,8-trioxaspiro[4,5]decane-7,9-dione

1,4,8-trioxaspiro[4,5]decane-7,9-dione

C7H8O5 (172.0371718)


   

4,5-difluoro-2-methylphenylboronic acid

4,5-difluoro-2-methylphenylboronic acid

C7H7BF2O2 (172.05071360000002)


   

5-(Methylsulfonyl)pyridin-3-amine

5-(Methylsulfonyl)pyridin-3-amine

C6H8N2O2S (172.0306468)


   

3-(trifluoromethyl)-4-cyanopyridine

3-(trifluoromethyl)-4-cyanopyridine

C7H3F3N2 (172.02483139999998)


   

3-Methyl-[1,2,4]thiadiazole-5-carboxylic acid ethyl ester

3-Methyl-[1,2,4]thiadiazole-5-carboxylic acid ethyl ester

C6H8N2O2S (172.0306468)


   

(3-Chloro-6-Methoxypyridin-2-yl)MethanaMine

(3-Chloro-6-Methoxypyridin-2-yl)MethanaMine

C7H9ClN2O (172.0403374)


   

3-chloro-2-methylphenyl methyl sulfide

3-chloro-2-methylphenyl methyl sulfide

C8H9ClS (172.0113464)


   

cis-cyclopentane-1,2-diamine dihydrochloride

cis-cyclopentane-1,2-diamine dihydrochloride

C5H14Cl2N2 (172.0533984)


   

2-HYDROXY-2-(TRIFLUOROMETHYL)BUTYRIC ACID

2-HYDROXY-2-(TRIFLUOROMETHYL)BUTYRIC ACID

C5H7F3O3 (172.0347268)


   
   

(R)-2-amino-3-(thiazol-2-yl)propanoic acid

(R)-2-amino-3-(thiazol-2-yl)propanoic acid

C6H8N2O2S (172.0306468)


   

trans-Cyclopentane-1,3-diamine dihydrochloride

trans-Cyclopentane-1,3-diamine dihydrochloride

C5H14Cl2N2 (172.0533984)


   

(1R,2R)-trans-1,2-Cyclopentanediamine dihydrochloride

(1R,2R)-trans-1,2-Cyclopentanediamine dihydrochloride

C5H14Cl2N2 (172.0533984)


   

Piperidin-4-amindihydrochlorid

Piperidin-4-amindihydrochlorid

C5H14Cl2N2 (172.0533984)


   

Methyl benzenesulfonate

Methyl benzenesulfonate

C7H8O3S (172.0194138)


   

Benzenesulfonohydrazide

Benzenesulfonohydrazide

C6H8N2O2S (172.0306468)


   

(2,3-Difluoro-4-methylphenyl)boronic acid

(2,3-Difluoro-4-methylphenyl)boronic acid

C7H7BF2O2 (172.05071360000002)


   

3-methylsulfonylphenol

3-methylsulfonylphenol

C7H8O3S (172.0194138)


   

2,3-Difluoro-5-methylbenzoic acid

2,3-Difluoro-5-methylbenzoic acid

C8H6F2O2 (172.033584)


   

2,5-Difluoro-3-methylbenzoic acid

2,5-Difluoro-3-methylbenzoic acid

C8H6F2O2 (172.033584)


   

3-(2-cyanoethyldisulfanyl)propanenitrile

3-(2-cyanoethyldisulfanyl)propanenitrile

C6H8N2S2 (172.01288879999998)


   

Phenyl Methanesulfonate

Phenyl Methanesulfonate

C7H8O3S (172.0194138)


   

3,5-Difluoro-4-methoxybenzaldehyde

3,5-Difluoro-4-methoxybenzaldehyde

C8H6F2O2 (172.033584)


   

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

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

C7H4N6 (172.0497424)


   

(2-Chloro-4-hydroxyphenyl)boronic acid

(2-Chloro-4-hydroxyphenyl)boronic acid

C6H6BClO3 (172.0098506)


   

5-AMINO-3-(METHYLTHIO)-1H-PYRAZOLE-4-CARBOXAMIDE

5-AMINO-3-(METHYLTHIO)-1H-PYRAZOLE-4-CARBOXAMIDE

C5H8N4OS (172.04187979999998)


   

1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBONYL CHLORIDE

1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBONYL CHLORIDE

C7H9ClN2O (172.0403374)


   

4-aminopyrimidine-5-carbothioamide hydrate

4-aminopyrimidine-5-carbothioamide hydrate

C5H8N4OS (172.04187979999998)


   

4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid

C6H8N2O2S (172.0306468)


   

5-Methylpyridine-3-sulfonamide

5-Methylpyridine-3-sulfonamide

C6H8N2O2S (172.0306468)


   

3-(2-AMINO-1,3-THIAZOL-4-YL)PROPANOIC ACID

3-(2-AMINO-1,3-THIAZOL-4-YL)PROPANOIC ACID

C6H8N2O2S (172.0306468)


   

3-Chloro-5-fluoroacetophenone

3-Chloro-5-fluoroacetophenone

C8H6ClFO (172.0091188)


   

2-Chloro-5-fluoroacetophenone

2-Chloro-5-fluoroacetophenone

C8H6ClFO (172.0091188)


   

6-amino-2-chloropyrimidine-4-carboxamide

6-amino-2-chloropyrimidine-4-carboxamide

C5H5ClN4O (172.015187)


   

5,5-Dimethyl-2,4-dioxo-1,3-oxazolidine-3-carboxamide

5,5-Dimethyl-2,4-dioxo-1,3-oxazolidine-3-carboxamide

C6H8N2O4 (172.0484048)


   

1-(2-Chloro-3-fluorophenyl)ethanone

1-(2-Chloro-3-fluorophenyl)ethanone

C8H6ClFO (172.0091188)


   

2-Chloro-4-fluoro-3-methylbenzaldehyde

2-Chloro-4-fluoro-3-methylbenzaldehyde

C8H6ClFO (172.0091188)


   

3-Amino-2,5,6-trifluorobenzonitrile

3-Amino-2,5,6-trifluorobenzonitrile

C7H3F3N2 (172.02483139999998)


   

(2-Chloro-6-methoxyphenyl)methanol

(2-Chloro-6-methoxyphenyl)methanol

C8H9ClO2 (172.02910440000002)


   

2,3-Dihydro-1H-imidazo[1,2-a]pyridin-5-one hydrochloride

2,3-Dihydro-1H-imidazo[1,2-a]pyridin-5-one hydrochloride

C7H9ClN2O (172.0403374)


   

1H-Imidazo[4,5-f]benzotetrazine(9CI)

1H-Imidazo[4,5-f]benzotetrazine(9CI)

C7H4N6 (172.0497424)


   

Ethyl 5-amino-1,3-thiazole-4-carboxylate

Ethyl 5-amino-1,3-thiazole-4-carboxylate

C6H8N2O2S (172.0306468)


   

[4-(Difluoromethyl)phenyl]boronic acid

[4-(Difluoromethyl)phenyl]boronic acid

C7H7BF2O2 (172.05071360000002)


   

Pyridazine,3-chloro-6-(1-methylethoxy)-

Pyridazine,3-chloro-6-(1-methylethoxy)-

C7H9ClN2O (172.0403374)


   

(2S)-1-(CHLOROACETYL)-2-PYRROLIDINECARBONITRILE

(2S)-1-(CHLOROACETYL)-2-PYRROLIDINECARBONITRILE

C7H9ClN2O (172.0403374)


   

4-CHLORO-2,5-DIMETHYLTHIOPHENOL

4-CHLORO-2,5-DIMETHYLTHIOPHENOL

C8H9ClS (172.0113464)


   

4-(Methylsulfonyl)phenol

4-(Methylsulfonyl)phenol

C7H8O3S (172.0194138)


   

N-Methoxy-N-methylthiazole-5-carboxamide

N-Methoxy-N-methylthiazole-5-carboxamide

C6H8N2O2S (172.0306468)


   

1H-Imidazole-4-carboxylicacid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester

1H-Imidazole-4-carboxylicacid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester

C6H8N2O2S (172.0306468)


   

N,N-Dimethylazetidin-3-amine dihydrochloride

N,N-Dimethylazetidin-3-amine dihydrochloride

C5H14Cl2N2 (172.0533984)


   

5-FLUORO-4-NITRO-2-PICOLINE N-OXIDE

5-FLUORO-4-NITRO-2-PICOLINE N-OXIDE

C6H5FN2O3 (172.0284192)


   

6-Chloro-2-fluoro-3-methylbenzaldehyde

6-Chloro-2-fluoro-3-methylbenzaldehyde

C8H6ClFO (172.0091188)


   

[1,2,5]oxadiazolo[3,4-f]cinnoline

[1,2,5]oxadiazolo[3,4-f]cinnoline

C8H4N4O (172.03850939999998)


   

3-HYDROXY-2,6-BIS(HYDROXYMETHYL)-4-PYRONE

3-HYDROXY-2,6-BIS(HYDROXYMETHYL)-4-PYRONE

C7H8O5 (172.0371718)


   

Methanone,2-furanylphenyl-

Methanone,2-furanylphenyl-

C11H8O2 (172.0524268)


   

Pyrimidine,4,6-bis(methylthio)-

Pyrimidine,4,6-bis(methylthio)-

C6H8N2S2 (172.01288879999998)


   

2,6-Difluoro-3-methylbenzoic acid

2,6-Difluoro-3-methylbenzoic acid

C8H6F2O2 (172.033584)


   
   

4-Chloro-2-fluoroacetophenone

4-Chloro-2-fluoroacetophenone

C8H6ClFO (172.0091188)


   

2-Fluor-6-methylbenzoylchlorid

2-Fluor-6-methylbenzoylchlorid

C8H6ClFO (172.0091188)


   
   

3-Fluoro-5-methyl-4-nitropyridine 1-oxide

3-Fluoro-5-methyl-4-nitropyridine 1-oxide

C6H5FN2O3 (172.0284192)


   

L-4-THIAZOLYLALANINE

L-4-THIAZOLYLALANINE

C6H8N2O2S (172.0306468)


   

6-chloro-4-N-ethylpyrimidine-4,5-diamine

6-chloro-4-N-ethylpyrimidine-4,5-diamine

C6H9ClN4 (172.0515704)


   

(S)-PYRROLIDIN-2-YLMETHANAMINE DIHYDROCHLORIDE

(S)-PYRROLIDIN-2-YLMETHANAMINE DIHYDROCHLORIDE

C5H14Cl2N2 (172.0533984)


   

2-CHLORO-N4,6-DIMETHYLPYRIMIDINE-4,5-DIAMINE

2-CHLORO-N4,6-DIMETHYLPYRIMIDINE-4,5-DIAMINE

C6H9ClN4 (172.0515704)


   

Phenylmethanesulfonic acid

Phenylmethanesulfonic acid

C7H8O3S (172.0194138)


   

2-amino-3-(5-oxo-1,2-oxazol-2-yl)propanoic acid

2-amino-3-(5-oxo-1,2-oxazol-2-yl)propanoic acid

C6H8N2O4 (172.0484048)


   

2-(1-Aminoethyl)-1,3-thiazole-4-carboxylic acid

2-(1-Aminoethyl)-1,3-thiazole-4-carboxylic acid

C6H8N2O2S (172.0306468)


   

(S)-2-Amino-3-(3-hydroxy-isoxazol-4-YL)propionic acid

(S)-2-Amino-3-(3-hydroxy-isoxazol-4-YL)propionic acid

C6H8N2O4 (172.0484048)


   
   

2-Naphthoic acid

2-Naphthalenecarboxylic acid

C11H8O2 (172.0524268)


A naphthoic acid that is naphthalene carrying a carboxy group at position 2.

   

CHEBI:15978

[(2R)-2,3-dihydroxypropyl] dihydrogen phosphate

C3H9O6P (172.01367439999999)


   

CHEBI:30918

(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid

C7H8O5 (172.0371718)


   

3,4-Dihydroxy-5-oxocyclohexene-1-carboxylic acid

3,4-Dihydroxy-5-oxocyclohexene-1-carboxylic acid

C7H8O5 (172.0371718)


   

4-Aminobenzenesulfonate

4-Aminobenzenesulfonate

C6H6NO3S- (172.0068386)


An aminobenzenesulfonate that is the conjugate base of 4-aminobenzenesulfonic acid.

   

2-Aminobenzenesulfonate

2-Aminobenzenesulfonate

C6H6NO3S- (172.0068386)


   

(2S)-2-isopropyl-3-oxosuccinate(2-)

(2S)-2-isopropyl-3-oxosuccinate(2-)

C7H8O5-2 (172.0371718)


   

Quinaldate

Quinaldate

C10H6NO2- (172.03985160000002)


A quinolinemonocarboxylate that is the conjugate base of quinaldic acid; major species at pH 7.3.

   

alpha-Ketopimelate

alpha-Ketopimelate

C7H8O5-2 (172.0371718)


   

beta-(isoxazolin-5-on-4-yl)-L-alanine

beta-(isoxazolin-5-on-4-yl)-L-alanine

C6H8N2O4 (172.0484048)


   

beta-(isoxazolin-5-on-2-yl)-L-alanine

beta-(isoxazolin-5-on-2-yl)-L-alanine

C6H8N2O4 (172.0484048)


   
   

2,4,6-Trioxoheptanoic acid

2,4,6-Trioxoheptanoic acid

C7H8O5 (172.0371718)


   

4-Methyl-3-ketoadipate

4-Methyl-3-ketoadipate

C7H8O5-2 (172.0371718)


   

(2E,4E)-2,4-dihydroxy-5-methyl-6-oxohexa-2,4-dienoic acid

(2E,4E)-2,4-dihydroxy-5-methyl-6-oxohexa-2,4-dienoic acid

C7H8O5 (172.0371718)


   

(4Z)-2-oxohept-4-enedioic acid

(4Z)-2-oxohept-4-enedioic acid

C7H8O5 (172.0371718)


   

(2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid

(2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid

C7H8O5 (172.0371718)


   

4-Hydroxy-2-keto-5-methyl-6-oxo-3-hexenoic acid

4-Hydroxy-2-keto-5-methyl-6-oxo-3-hexenoic acid

C7H8O5 (172.0371718)


   

(2Z,4E)-2-hydroxy-6-methoxy-6-oxohexa-2,4-dienoic acid

(2Z,4E)-2-hydroxy-6-methoxy-6-oxohexa-2,4-dienoic acid

C7H8O5 (172.0371718)


   
   

(E)-2-methyl-5-oxohex-3-enedioic acid

(E)-2-methyl-5-oxohex-3-enedioic acid

C7H8O5 (172.0371718)


   

(2Z,4E)-4-hydroxy-6-methoxy-6-oxohexa-2,4-dienoic acid

(2Z,4E)-4-hydroxy-6-methoxy-6-oxohexa-2,4-dienoic acid

C7H8O5 (172.0371718)


   

N-formimidoyl-L-glutamate(2-)

N-formimidoyl-L-glutamate(2-)

C6H8N2O4-2 (172.0484048)


   

3-Aminobenzenesulfonate

3-Aminobenzenesulfonate

C6H6NO3S- (172.0068386)


   
   
   

5-(Difluoromethyl)benzo[d][1,3]dioxole

5-(Difluoromethyl)benzo[d][1,3]dioxole

C8H6F2O2 (172.033584)


   

trans-2-Oxohept-3-enedioic acid

trans-2-Oxohept-3-enedioic acid

C7H8O5 (172.0371718)


   

2-Oxohept-4-ene-1,7-dioic acid

2-Oxohept-4-ene-1,7-dioic acid

C7H8O5 (172.0371718)


An oxo dicarboxylic acid that is 2-oxohept-4-ene in which the two terminal methyl groups are replaced by carboxy groups.

   

6-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one

6-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one

C6H8N2O2S (172.0306468)


   

(3-Amino-2,5-dioxopyrrolidin-1-yl)acetic acid

(3-Amino-2,5-dioxopyrrolidin-1-yl)acetic acid

C6H8N2O4 (172.0484048)


   

1-Hydroxypropan-2-yloxy dihydrogen phosphate

1-Hydroxypropan-2-yloxy dihydrogen phosphate

C3H9O6P (172.01367439999999)


   

sn-Glycerol 3-phosphate

sn-Glycerol 3-phosphate

C3H9O6P (172.01367439999999)


An sn-glycerol 3-phosphate having unsubstituted hydroxy groups.

   

Hydantoin-5-propionic acid

3-(2,5-Dioxo-imidazolidin-4-yl)-propionic acid

C6H8N2O4 (172.0484048)


A imidazolidine-2,4-dione that is hydantoin substituted by a 2-carboxyethyl group at position 4.

   
   

Dehydromatricaria ester

Dehydromatricaria ester

C11H8O2 (172.0524268)


   

sn-glycerol 1-phosphate

Sn-glycerol-1-phosphate

C3H9O6P (172.01367439999999)


An optically active glycerol 1-phosphate having (S)-configuration.

   

3-(5-oxoisoxazolin-4-yl)-L-alanine

3-(5-oxoisoxazolin-4-yl)-L-alanine

C6H8N2O4 (172.0484048)


A member of the class of isoxazoles that is L-alanine in which one of the methyl hydrogens is replaced by a 5-oxoisoxazolin-4-yl group.

   

3-(5-oxoisoxazolin-2-yl)-L-alanine

3-(5-oxoisoxazolin-2-yl)-L-alanine

C6H8N2O4 (172.0484048)


A non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is replaced by a 5-oxoisoxazolin-2-yl group.

   

cis-2-Oxohept-3-enedioic acid

cis-2-Oxohept-3-enedioic acid

C7H8O5 (172.0371718)


   

(3Z,5E)-4,6-dihydroxy-5-methyl-2-oxohexa-3,5-dienoic acid

(3Z,5E)-4,6-dihydroxy-5-methyl-2-oxohexa-3,5-dienoic acid

C7H8O5 (172.0371718)


   

2-Oxo-5-methyl-cis-muconate

2-Oxo-5-methyl-cis-muconate

C7H8O5 (172.0371718)


   

2-Hydroxy-5-methyl-cis,cis-muconic acid

2-Hydroxy-5-methyl-cis,cis-muconic acid

C7H8O5 (172.0371718)


   

(2S)-2-isopropyl-3-oxosuccinate(2-)

(2S)-2-isopropyl-3-oxosuccinate(2-)

C7H8O5 (172.0371718)


A dicarboxylic acid dianion obtained by removal of a proton from both carboxy groups of (2S)-2-isopropyl-3-oxosuccinic acid.

   

3-(5-oxoisoxazolin-4-yl)-L-alanine zwitterion

3-(5-oxoisoxazolin-4-yl)-L-alanine zwitterion

C6H8N2O4 (172.0484048)


An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of 3-(5-oxoisoxazolin-4-yl)-L-alanine; major species at pH 7.3.

   

3-(5-oxoisoxazolin-2-yl)-L-alanine zwitterion

3-(5-oxoisoxazolin-2-yl)-L-alanine zwitterion

C6H8N2O4 (172.0484048)


An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of 3-(5-oxoisoxazolin-2-yl)-L-alanine; major species at pH 7.3.

   

methoxy(phenyl)phosphinic acid

methoxy(phenyl)phosphinic acid

C7H9O3P (172.0289294)


   

4,5-dihydroxy-3-oxocyclohexene-1-carboxylic acid

4,5-dihydroxy-3-oxocyclohexene-1-carboxylic acid

C7H8O5 (172.0371718)


   

N-formimidoyl-L-glutamate(2-)

N-formimidoyl-L-glutamate(2-)

C6H8N2O4 (172.0484048)


A dicarboxylic acid anion resuting from removal of a proton from both carboxy groups of N-formimidoyl-L-glutamic acid.

   

trans,trans-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid

trans,trans-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid

C7H8O5 (172.0371718)


A 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid in which both double bonds adopt a trans-configuration.

   

cis,cis-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid

cis,cis-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid

C7H8O5 (172.0371718)


A 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid in which both double bonds adopt a cis-configuration.

   

Glycerol 1-phosphate

Glycerol 1-phosphate

C3H9O6P (172.01367439999999)


A glycerol monophosphate having the phosphate group located at position 1.

   
   
   

Dehydroshikimate

Dehydroshikimate

C7H8O5 (172.0371718)