Exact Mass: 233.9881

Exact Mass Matches: 233.9881

Found 97 metabolites which its exact mass value is equals to given mass value 233.9881, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Dichlorprop

2-Methyl-2-(2,4-dichlorophenoxy)acetic acid

C9H8Cl2O3 (233.985)


CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8393 CONFIDENCE standard compound; EAWAG_UCHEM_ID 270

   

Chinomethionat

6-Methyl-2,3-quinoxalinedithiol cyclic S,S-dithiocarbonate

C10H6N2OS2 (233.9922)


D016573 - Agrochemicals D010575 - Pesticides

   

Hydroxylinuron

3-(3,4-Dichlorophenyl)-1-hydroxy-1-methylurea

C8H8Cl2N2O2 (233.9963)


   

Dichlorprop-P

(R)-2-(2,4-Dichlorophenoxy)propanoic acid

C9H8Cl2O3 (233.985)


   

(2s)-2-(2,4-Dichlorophenoxy)propanoic acid

(2s)-2-(2,4-Dichlorophenoxy)propanoic acid

C9H8Cl2O3 (233.985)


   

p-Chlorobenzene sulfonyl urea

N-(4-Chlorobenzenesulphonyl)carbamimidic acid

C7H7ClN2O3S (233.9866)


p-Chlorobenzene sulfonyl urea is only found in individuals that have used or taken Chlorpropamide.p-Chlorobenzene sulfonyl urea is a metabolite of Chlorpropamide. P-chlorobenzene sulfonyl urea belongs to the family of Benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.

   

Protocatechuic acid 3-O-sulfate

3,4-Dihydroxybenzoic acid 3-O-sulphuric acid

C7H6O7S (233.9834)


Protocatechuic acid sulfate, also known as 3,4-DHBA sulfate, is an endogenous phenolic acid metabolite found to be elevated in mice urine after rye-bran supplemented diets which makes this compound a potential urinary biomarker of whole grain intake (PMID: 25944556). BioTransformer predicts that protocatechuic acid 3-O-sulfate is a product of 3,4-dihydroxybenzoic acid metabolism via a 3-O-sulfation-of-phenolic-compound reaction catalyzed by sulfotransferase 1A3 (P0DMM9) and sulfotransferase enzymes (PMID: 30612223). Protocatechuic acid 3-o-sulphate is a member of the class of compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Protocatechuic acid 3-o-sulphate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa).

   

2-hydroxy-3-(sulfooxy)benzoic acid

2-Hydroxy-3-(sulphooxy)benzoic acid

C7H6O7S (233.9834)


2-hydroxy-3-(sulfooxy)benzoic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2,3-dihydroxybenzoic acid. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -3-O-sulfation-of-phenolic-compound reaction. This -3-O-sulfation-of-phenolic-compound occurs in humans.

   

3,5-Dihydroxybenzoic acid sulfate

3,5-Dihydroxybenzoic acid sulphuric acid

C7H6O7S (233.9834)


3,5-Dihydroxybenzoic acid sulfate (3,5-DHBA sulfate) is an alkylresorcinol metabolite. 3,5-DHBA sulfate was found to be elevated in mice urine after rye-bran supplemented diets which makes this compound a potential urinary biomarker of whole grain intake (PMID: 25944556).

   

Protocatechuic acid 4-O-sulfate

Protocatechuic acid 4-O-sulphuric acid

C7H6O7S (233.9834)


Protocatechuic acid 4-o-sulphate, also known as 3-hsob, is a member of the class of compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Protocatechuic acid 4-o-sulphate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). Protocatechuic acid sulfate, also known as 3,4-DHBA sulfate, is an endogenous phenolic acid found to be elevated in mice urine after rye-bran supplemented diets which makes this compound a potential urinary biomarker of whole grain intake (PMID: 25944556).

   

3-Methoxycatechol sulfate

5,6-dihydroxy-4-methoxy-1,3,2lambda6-benzodioxathiole-2,2-dione

C7H6O7S (233.9834)


   

Iron(II) lactate

λ²-iron(2+) ion bis(2-hydroxypropanoate)

C6H10FeO6 (233.9827)


Nutrient supplement. May be used in infant formulas. Ferrous lactate, or iron(II) lactate, is a chemical compound consisting of one atom of iron (Fe2+) and two lactate anions. It has the chemical formula Fe(C3H5O3)2. It is used as a food additive with E number E585. It is an acidity regulator and colour retention agent, and is also used to fortify foods with iron. Nutrient supplement. May be used in infant formulas

   
   

Nitrile-6-Bromo-1H-indole-3-acetic acid

Nitrile-6-Bromo-1H-indole-3-acetic acid

C10H7BrN2 (233.9793)


   

2-(Buta-1,3-diynyl)-5-(4-chloro-3-hydroxybut-1-ynyl) thiophene

2-(Buta-1,3-diynyl)-5-(4-chloro-3-hydroxybut-1-ynyl) thiophene

C12H7ClOS (233.9906)


   

METHYL 3,5-DICHLORO-4-METHOXYBENZOATE

METHYL 3,5-DICHLORO-4-METHOXYBENZOATE

C9H8Cl2O3 (233.985)


   

Dichlorprop

Dichlorprop

C9H8Cl2O3 (233.985)


   

2-(2,5-DICHLOROPHENOXY)PROPIONIC ACID

alpha-(2,5-Dichlorophenoxy)propionic acid

C9H8Cl2O3 (233.985)


CONFIDENCE standard compound; INTERNAL_ID 320; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4669; ORIGINAL_PRECURSOR_SCAN_NO 4666 CONFIDENCE standard compound; INTERNAL_ID 320; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4672; ORIGINAL_PRECURSOR_SCAN_NO 4671 CONFIDENCE standard compound; INTERNAL_ID 320; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4695; ORIGINAL_PRECURSOR_SCAN_NO 4693 CONFIDENCE standard compound; INTERNAL_ID 320; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4680; ORIGINAL_PRECURSOR_SCAN_NO 4678 CONFIDENCE standard compound; INTERNAL_ID 320; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4765; ORIGINAL_PRECURSOR_SCAN_NO 4763 CONFIDENCE standard compound; INTERNAL_ID 320; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4682; ORIGINAL_PRECURSOR_SCAN_NO 4679

   

2,4-D-methyl

Methyl (2,4-dichlorophenoxy)acetate

C9H8Cl2O3 (233.985)


CONFIDENCE standard compound; INTERNAL_ID 354; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4669; ORIGINAL_PRECURSOR_SCAN_NO 4666 CONFIDENCE standard compound; INTERNAL_ID 354; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4672; ORIGINAL_PRECURSOR_SCAN_NO 4671 CONFIDENCE standard compound; INTERNAL_ID 354; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4695; ORIGINAL_PRECURSOR_SCAN_NO 4693 CONFIDENCE standard compound; INTERNAL_ID 354; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4680; ORIGINAL_PRECURSOR_SCAN_NO 4678 CONFIDENCE standard compound; INTERNAL_ID 354; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4765; ORIGINAL_PRECURSOR_SCAN_NO 4763 CONFIDENCE standard compound; INTERNAL_ID 354; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4682; ORIGINAL_PRECURSOR_SCAN_NO 4679

   

4-chlorobenzenesulfonylurea

4-chlorobenzenesulfonylurea

C7H7ClN2O3S (233.9866)


   

Methyl (2,4-dichlorophenoxy)acetate

2,4-DICHLOROPHENOXYACETIC ACID, METHYL ESTER

C9H8Cl2O3 (233.985)


   

Ferrous lactate

Ferrous lactate

C6H10FeO6 (233.9827)


   

Pyrimidine, 4-(4-bromophenyl)- (9CI)

Pyrimidine, 4-(4-bromophenyl)- (9CI)

C10H7BrN2 (233.9793)


   

4,5-Dichloro-3-piperidinoylisothiazole

4,5-Dichloro-3-piperidinoylisothiazole

C8H8Cl2N2S (233.9785)


   

2-Amino-5-bromo-4-t-butylthiazole

2-Amino-5-bromo-4-t-butylthiazole

C7H11BrN2S (233.9826)


   

2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]acetic acid

C7H7ClN2O3S (233.9866)


   

5-BROMO-[3,3?]BIPYRIDINYL

5-BROMO-[3,3?]BIPYRIDINYL

C10H7BrN2 (233.9793)


   

diphenyl selenide

diphenyl selenide

C12H10Se (233.9948)


   

2-(2,3-Dichlorophenoxy)acetohydrazide

2-(2,3-Dichlorophenoxy)acetohydrazide

C8H8Cl2N2O2 (233.9963)


   

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

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

C10H7BrN2 (233.9793)


   

6-BROMO-2,4-BIPYRIDINE

6-BROMO-2,4-BIPYRIDINE

C10H7BrN2 (233.9793)


   

Glycerol phosphate disodium salt hydrate

Glycerol phosphate disodium salt hydrate

C3H9Na2O7P (233.9881)


   

2-Bromo-4-phenylpyrimidine

2-Bromo-4-phenylpyrimidine

C10H7BrN2 (233.9793)


   

2-(4-bromo-1H-indol-3-yl)acetonitrile

2-(4-bromo-1H-indol-3-yl)acetonitrile

C10H7BrN2 (233.9793)


   

1-(3-Bromopropyl)-2,3-difluorobenzene

1-(3-Bromopropyl)-2,3-difluorobenzene

C9H9BrF2 (233.9856)


   

Sodium glycerophosphate

Sodium glycerophosphate

C3H9Na2O7P (233.9881)


   

2,6-Dichloro-3,4-dimethoxybenzaldehyde

2,6-Dichloro-3,4-dimethoxybenzaldehyde

C9H8Cl2O3 (233.985)


   

2-(3-Bromophenyl)pyrimidine

2-(3-Bromophenyl)pyrimidine

C10H7BrN2 (233.9793)


   

4-bromo-2,2′-bipyridyl

4-bromo-2,2′-bipyridyl

C10H7BrN2 (233.9793)


   

1-chloro-6-(5-ethynylthiophen-2-yl)hexa-3,5-diyn-2-ol

1-chloro-6-(5-ethynylthiophen-2-yl)hexa-3,5-diyn-2-ol

C12H7ClOS (233.9906)


   

ethyl 1-(2-bromoacetyl)cyclopropanecarboxylate

ethyl 1-(2-bromoacetyl)cyclopropanecarboxylate

C8H11BrO3 (233.9892)


   

2,4-Dichlorophenoxyacetic acid hydrazide

2,4-Dichlorophenoxyacetic acid hydrazide

C8H8Cl2N2O2 (233.9963)


   

2-bromo-5-phenylpyrazine

2-bromo-5-phenylpyrazine

C10H7BrN2 (233.9793)


   

Carbonicacid, 2,4-dichlorophenyl ethyl ester

Carbonicacid, 2,4-dichlorophenyl ethyl ester

C9H8Cl2O3 (233.985)


   

ethyl 4-amino-5,6-dichloropyridine-3-carboxylate

ethyl 4-amino-5,6-dichloropyridine-3-carboxylate

C8H8Cl2N2O2 (233.9963)


   

Digermane,1,1,1,2,2,2-hexamethyl-

Digermane,1,1,1,2,2,2-hexamethyl-

C6H18Ge2 (233.985)


   

methylmercury(ii) hydroxide

methylmercury(ii) hydroxide

CH4HgO (233.9968)


   

6-Nitro-2-aminophenol-4-sulfonic acid

6-Nitro-2-aminophenol-4-sulfonic acid

C6H6N2O6S (233.9947)


   

6-Bromo-2,3-bipyridine

6-Bromo-2,3-bipyridine

C10H7BrN2 (233.9793)


   

5-Bromo-2,2-bipyridine

5-Bromo-2,2-bipyridine

C10H7BrN2 (233.9793)


   

2-(2,4-dichlorophenoxy)acetamidoxime

2-(2,4-dichlorophenoxy)acetamidoxime

C8H8Cl2N2O2 (233.9963)


   

(4,6-DICHLORO-1,3-PHENYLENE)DIBORONIC ACID

(4,6-DICHLORO-1,3-PHENYLENE)DIBORONIC ACID

C6H6B2Cl2O4 (233.9829)


   

5-Bromo-2,3-bipyridine

5-Bromo-2,3-bipyridine

C10H7BrN2 (233.9793)


   

Calcium/Sodium PVM/MA Copolymer

Calcium/Sodium PVM/MA Copolymer

C7H7CaNaO5 (233.9817)


   

2-(2,6-Dichlorophenoxy)propanoic acid

2-(2,6-Dichlorophenoxy)propanoic acid

C9H8Cl2O3 (233.985)


   

3-AMINO-3-(3,5-DICHLORO-PYRIDIN-4-YL)-PROPIONIC ACID

3-AMINO-3-(3,5-DICHLORO-PYRIDIN-4-YL)-PROPIONIC ACID

C8H8Cl2N2O2 (233.9963)


   

6-Bromoindole-3-acetonitrile

6-Bromoindole-3-acetonitrile

C10H7BrN2 (233.9793)


   

4,5,6,7-TETRAHYDRO-2-METHYLTHIAZOLO[5,4-C]PYRIDINE HYDROBROMIDE

4,5,6,7-TETRAHYDRO-2-METHYLTHIAZOLO[5,4-C]PYRIDINE HYDROBROMIDE

C7H11BrN2S (233.9826)


   
   

3,5-dichloro-4-methoxybenzohydrazide

3,5-dichloro-4-methoxybenzohydrazide

C8H8Cl2N2O2 (233.9963)


   

3-Bromomethyl-2,4,10-trioxa-adamantane

3-Bromomethyl-2,4,10-trioxa-adamantane

C8H11BrO3 (233.9892)


   

(4-Chlorothieno[3,2-c]pyridin-2-yl)methanamine hydrochloride

(4-Chlorothieno[3,2-c]pyridin-2-yl)methanamine hydrochloride

C8H8Cl2N2S (233.9785)


   

4-Bromo-2-phenylpyrimidine

4-Bromo-2-phenylpyrimidine

C10H7BrN2 (233.9793)


   

2-(3,4-Dichlorophenoxy)acetohydrazide

2-(3,4-Dichlorophenoxy)acetohydrazide

C8H8Cl2N2O2 (233.9963)


   

6-Bromo-2,2-bipyridine

6-Bromo-2,2-bipyridine

C10H7BrN2 (233.9793)


   

chlorozinc(1+),1-ethoxy-4-methanidylbenzene

chlorozinc(1+),1-ethoxy-4-methanidylbenzene

C9H11ClOZn (233.979)


   

2-(3,5-dichloro-4-hydroxyphenyl)propanoate

2-(3,5-dichloro-4-hydroxyphenyl)propanoate

C9H8Cl2O3 (233.985)


   

Zinc methacrylate

Zinc methacrylate

C8H10O4Zn (233.9871)


   

2,6-dichloro-N-methoxy-N-methylisonicotinamide

2,6-dichloro-N-methoxy-N-methylisonicotinamide

C8H8Cl2N2O2 (233.9963)


   

2,3,5,6-TETRAFLUORO-4-(TRIFLUOROMETHYL)PHENOL

2,3,5,6-TETRAFLUORO-4-(TRIFLUOROMETHYL)PHENOL

C7HF7O (233.9916)


   

7-Amino-3-chloro cephalosporanic acid

7-Amino-3-chloro cephalosporanic acid

C7H7ClN2O3S (233.9866)


   

1-bromo-2-(1,1-difluoropropyl)- Benzene

1-bromo-2-(1,1-difluoropropyl)- Benzene

C9H9BrF2 (233.9856)


   

2-ETHOXYBENZYLZINC CHLORIDE

2-ETHOXYBENZYLZINC CHLORIDE

C9H11ClOZn (233.979)


   

(2-bromo-1,1-difluoropropyl)- Benzene

(2-bromo-1,1-difluoropropyl)- Benzene

C9H9BrF2 (233.9856)


   

dicamba-methyl

Methyl 3,6-dichloro-2-methoxybenzoate

C9H8Cl2O3 (233.985)


D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

   

5-Bromo-4-phenylpyrimidine

5-Bromo-4-phenylpyrimidine

C10H7BrN2 (233.9793)


   

(2R)-2-(2,4-Dichlorophenoxy)propanoic acid

(2R)-2-(2,4-Dichlorophenoxy)propanoic acid

C9H8Cl2O3 (233.985)


   

2-Hydroxy-5-nitrometanilic acid

2-Hydroxy-5-nitrometanilic acid

C6H6N2O6S (233.9947)


   

2-(2,6-Dichlorophenoxy)-N-hydroxyethanimidamide

2-(2,6-Dichlorophenoxy)-N-hydroxyethanimidamide

C8H8Cl2N2O2 (233.9963)


   

5-BROMO-2-PHENYLPYRIMIDINE

5-BROMO-2-PHENYLPYRIMIDINE

C10H7BrN2 (233.9793)


   

ethyl 3,5-dichloro-4-hydroxybenzoate

ethyl 3,5-dichloro-4-hydroxybenzoate

C9H8Cl2O3 (233.985)


   

2-(2,5-dichlorophenoxy)acetohydrazide

2-(2,5-dichlorophenoxy)acetohydrazide

C8H8Cl2N2O2 (233.9963)


   

Ethyl (4,6-dichloro-2-pyrimidinyl)acetate

Ethyl (4,6-dichloro-2-pyrimidinyl)acetate

C8H8Cl2N2O2 (233.9963)


   

Aluminium acetotartrate

Aluminium acetotartrate

C6H7AlO8 (233.9956)


S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives

   

3,4-Dichlorobenzyl Carbamimidothioate

3,4-Dichlorobenzyl Carbamimidothioate

C8H8Cl2N2S (233.9785)


   

5-Methyl-2,3-bis(trifluoromethyl)thiophene

5-Methyl-2,3-bis(trifluoromethyl)thiophene

C7H4F6S (233.9938)


   

[3-Azaniumyl-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate

[3-Azaniumyl-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate

C3H10NO7P2- (233.9933)


D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates

   

3-Hydroxy-sulfonyloxybenzoic acid

3-Hydroxy-sulfonyloxybenzoic acid

C7H6O7S (233.9834)


   

3,5-Dichloro-2,6-dimethoxytropone

3,5-Dichloro-2,6-dimethoxytropone

C9H8Cl2O3 (233.985)


   

2,4-DP

2-(2,4-Dichlorophenoxy)propionic acid

C9H8Cl2O3 (233.985)


   

4-Hydroxy-3-(sulfooxy)benzoic acid

4-Hydroxy-3-(sulfooxy)benzoic acid

C7H6O7S (233.9834)


   

3,5-Dihydroxybenzoic acid sulfate

3,5-Dihydroxybenzoic acid sulfate

C7H6O7S (233.9834)


   

2-hydroxy-3-(sulfooxy)benzoic acid

2-hydroxy-3-(sulfooxy)benzoic acid

C7H6O7S (233.9834)


   

2-(Buta-1,3-diynyl)-5-(4-chloro-3-hydroxybut-1-ynyl) thiophene

4-(5-buta-1,3-diynylthiophen-2-yl)-1-chlorobut-3-yn-2-ol; AC1NST6U; 2-(buta-1,3-diynyl)-5-(4-chloro-3-hydroxybut-1-ynyl)thiophene

C12H7ClOS (233.9906)


{"Ingredient_id": "HBIN005414","Ingredient_name": "2-(Buta-1,3-diynyl)-5-(4-chloro-3-hydroxybut-1-ynyl) thiophene","Alias": "4-(5-buta-1,3-diynylthiophen-2-yl)-1-chlorobut-3-yn-2-ol; AC1NST6U; 2-(buta-1,3-diynyl)-5-(4-chloro-3-hydroxybut-1-ynyl)thiophene","Ingredient_formula": "C12H7ClOS","Ingredient_Smile": "C#CC#CC1=CC=C(S1)C#CC(CCl)O","Ingredient_weight": "234.71","OB_score": "29.6128359","CAS_id": "NA","SymMap_id": "SMIT00882","TCMID_id": "2776","TCMSP_id": "MOL003376","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

4-(5-butadiynyl-2-thienyl)-1-chloro-3-butyn-2-ol

NA

C12H7ClOS (233.9906)


{"Ingredient_id": "HBIN009996","Ingredient_name": "4-(5-butadiynyl-2-thienyl)-1-chloro-3-butyn-2-ol","Alias": "NA","Ingredient_formula": "C12H7ClOS","Ingredient_Smile": "NA","Ingredient_weight": "234.7","OB_score": "NA","CAS_id": "26905-71-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7963","PubChem_id": "NA","DrugBank_id": "NA"}

   

4-[5-(buta-1,3-diyn-1-yl)thiophen-2-yl]-1-chlorobut-3-yn-2-ol

4-[5-(buta-1,3-diyn-1-yl)thiophen-2-yl]-1-chlorobut-3-yn-2-ol

C12H7ClOS (233.9906)


   

(2r)-4-[5-(buta-1,3-diyn-1-yl)thiophen-2-yl]-1-chlorobut-3-yn-2-ol

(2r)-4-[5-(buta-1,3-diyn-1-yl)thiophen-2-yl]-1-chlorobut-3-yn-2-ol

C12H7ClOS (233.9906)