Exact Mass: 196.028

Xanthine-8-carboxylate

xanthine-8-carboxylic acid

3,4-dihydroxyphenylpyruvate

3-(3,4-dihydroxyphenyl)-2-oxopropanoic acid

3-(2,4,5-trihydroxyphenyl)prop-2-enoic acid

3-Methoxy-4,5-methylenedioxybenzoic acid

7-methoxy-2H-1,3-benzodioxole-5-carboxylic acid

3-Methoxy-4,5-methylenedioxybenzoic acid is found in green vegetables. 3-Methoxy-4,5-methylenedioxybenzoic acid is isolated from seeds of Apium graveolen

3-(3,4,5-trihydroxyphenyl)prop-2-enoic acid

4-Hydroxy-benzenepropanedioate

3-(4-hydroxyphenoxy)-3-oxopropanoic acid

This compound belongs to the family of Phenol Esters. These are aromatic compounds containing a benzene ring substituted by an hydroxyl group and an ester group.

8-Nitroguanine

2-amino-8-nitro-6,7-dihydro-1H-purin-6-one

C5H4N6O3 (196.0345)

4,5,6-trihydroxy-7-methylphthalide

4-Methoxyisophthalic acid

2--5--thiophen|2--5--thiophen|2-but-3-en-1-ynyl-5-penta-1,3-diynyl-thiophene|5--2-thiophen|thiophene B

2-(1-propynyl)-5-(5-hexen-3-yn-1-ynyl)-thiophene|2-(Ethenylbutadiynyl)-5-( propinyl)-thiophene|2-hex-5-ene-1,3-diynyl-5-prop-1-ynyl-thiophene|2-Propin-(1)-yl-5-hexadiin-(1,3)-en-(5)-yl-thiophen|2-propinyl-5-thiophene|5--2--thiophen|thiophene A

N,N-Bis-carbamimidoyl-hydrazidoschwefelsaeure; Sulfat|N,N-bis-carbamimidoyl-hydrazidosulfuric acid ; sulfate

C2H8N6O3S (196.0379)

Haematommic acid

3-formyl-2,4-dihydroxy-6-methylbenzoic acid

Haematommic acid is a hydroxybenzoic acid. 3-Formyl-2,4-dihydroxy-6-methylbenzoic acid is a natural product found in Asahinea chrysantha

Meconic acid

Arabidopyl alcohol

iso-arabidopyl alcohol

2-hydroxy-4-[(1E)-3-oxoprop-1-en-1-yl]-2H-pyran-6-carboxylate

2-hydroxy-3-[(1E)-3-oxoprop-1-en-1-yl]-2H-pyran-6-carboxylate

(2E,4Z,6E)-5-formyl-2-hydroxy-8-oxoocta-2,4,6-trienoate

(2E,4Z,5E)-2-hydroxy-7-oxo-(2-oxoethylidene)hepta-2,5-dienoate

2-Amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole

CONFIDENCE standard compound; INTERNAL_ID 969; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2642; ORIGINAL_PRECURSOR_SCAN_NO 2640 CONFIDENCE standard compound; INTERNAL_ID 969; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2643; ORIGINAL_PRECURSOR_SCAN_NO 2641 CONFIDENCE standard compound; INTERNAL_ID 969; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2647; ORIGINAL_PRECURSOR_SCAN_NO 2645 CONFIDENCE standard compound; INTERNAL_ID 969; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2643; ORIGINAL_PRECURSOR_SCAN_NO 2640 CONFIDENCE standard compound; INTERNAL_ID 969; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5842; ORIGINAL_PRECURSOR_SCAN_NO 5839 CONFIDENCE standard compound; INTERNAL_ID 969; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5878; ORIGINAL_PRECURSOR_SCAN_NO 5876 CONFIDENCE standard compound; INTERNAL_ID 969; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5881; ORIGINAL_PRECURSOR_SCAN_NO 5880

Myristicin acid

7-methoxy-2H-1,3-benzodioxole-5-carboxylic acid

2-(hexa-5-en-1,3-diynyl)-5-(propynyl)-thiophene

2-(hexa-5-en-1,3-diyn-1-yl)-5-(prop-1-yn-1-yl)thiophene

(1,1-dioxo-1-benzothiophen-2-yl)methanol

C9H8O3S (196.0194)

sodium,(Z)-4-hydroxy-4-oxobut-2-enoate,methoxyethene

C7H9NaO5 (196.0348)

3,3,4,5,5,5-hexafluoropentan-2-ol

4-FURAN-2-YL-2,4-DIOXO-BUTYRIC ACID METHYL ESTER

Benzoic acid,4-(carboxymethoxy)-

Ethyl imidazo[2,1-b]thiazole-6-carboxylate

Chroman-6-carbonyl chloride

1,3-Benzenedicarboxylicacid, 4-hydroxy-5-methyl-

2-hydroxy-5-(Methoxycarbonyl)benzoic acid

Cycloheptanesulfonyl chloride

C7H13ClO2S (196.0325)

Methyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

METHYL 4-CHLOROCUBANECARBOXYLATE

Methyl 4-chlorocinnamate

Benzoic acid,2-(carboxymethoxy)-

4-(Methanesulfonylamino)benzonitrile

1-(3-Carboxyphenyl)-2-thiourea

5-chloro-2-prop-2-enoxybenzaldehyde

3-(METHANESULFONYLAMINO)BENZONITRILE

1H-indole-6-sulfonamide

1-(4-Chlorophenyl)cyclopropanecarboxylic acid

Ethyl imidazo[2,1-b][1,3]thiazole-5-carboxylate

1H-Imidazole-2-carboxylicacid,5-cyano-1-methyl-4-nitro-(9CI)

5-Hexenylmethyl dichlorosilane

C7H14Cl2Si (196.0242)

1,3-DIMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID

1-(4-Chlorophenyl)-1,3-butanedione

6-Chloro-2,3-dihydro-1H-indene-1-carboxylic acid

3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid

1H-Indole-5-sulfonamide

[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C6H7F3N2S (196.0282)

methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate

3,5-DIFORMYL-2-FLUOROPHENYLBORONIC ACID

C8H6BFO4 (196.0343)

degn

C4H8N2O7 (196.0331)

Chroman-8-carbonyl chloride , 90

3-fluoro-5-methoxy-4-nitrobenzonitrile

C8H5FN2O3 (196.0284)

3-Fluoro-4-methoxy-5-nitrobenzonitrile

C8H5FN2O3 (196.0284)

6-chloro-7-methyl-2,3-dihydrochromen-4-one

Homouric Acid

1-bromo-7-fluoroheptane

C7H14BrF (196.0263)

4H-1-Benzothiopyran-4-one,2,3-dihydro-, 1,1-dioxide

C9H8O3S (196.0194)

7-Hydroxy-1,4-benzodioxan-6-carboxylic Acid

Ethyl imidazo[5,1-b]thiazole-7-carboxylate

1,1,2,3,3,3-hexafluoropropyl ethyl ether

1-(3-Chlorophenoxy)-3-butyn-2-ol

1H-Benzimidazole,2-(methylsulfonyl)-

6-Chloro-5-methoxy-1-indanone

1-(2-CYANOETHYL)-2-PHENYL-4,5-DI-CYANOETHOXYMETHYLIMIDAZOLE

1-(3-FLUORO-4-METHOXYPHENYL)ETHYLAMINE

C7H5FN4S (196.0219)

CYCLOPROPANEPROPANOIC ACID, B-OXO-1-(TRIFLUOROMETHYL)-

C7H7F3O3 (196.0347)

3,4-(methylenedioxy)phenylglyoxal hydrate

dioxosilane,trimethoxy(methyl)silane

C4H12O5Si2 (196.0223)

ETHYL IMIDAZO[2,1-B]THIAZOLE-2-CARBOXYLATE

5-Chloroacetyl-2,3-dihydrobenzofuran

Benzoic acid,4-[(aminothioxomethyl)amino]-

5-(Aminomethyl)-2-methyl-4-(trifluoromethyl)thiazole

C6H7F3N2S (196.0282)

5-(Aminomethyl)-4-methyl-2-(trifluoromethyl)thiazole

C6H7F3N2S (196.0282)

4-chloro-6-fluoro-2-methylquinazoline

C9H6ClFN2 (196.0204)

CHROMAN-3-CARBONYL CHLORIDE

3,4-(Methylenedioxy)Phenylglyoxal Hydrate, Dry wt Basis

4-(Trifluoromethyl)isophthalonitrile

C9H3F3N2 (196.0248)

1H-Indole-7-sulfonamide(9CI)

5-acetyl-2,4-dihydroxybenzoic acid

Cyclohexylmethanesulfonyl chloride

C7H13ClO2S (196.0325)

1H-Indole-2-sulfonamide(9CI)

(2E)-3-(4-Methoxyphenyl)acryloyl chloride

1-(3-Chlorophenyl)cyclopropanecarboxylic acid

8-Nitroguanine

C5H4N6O3 (196.0345)

5-Chloro-6-methoxy-1-indanone

2-METHOXYISOPHTHALIC ACID

5-methyl-5-thiophen-2-yl-imidazolidine-2,4-dione

5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridine

2,5-DICYANOBENZOTRIFLUORIDE

C9H3F3N2 (196.0248)

2-(4-nitrophenyl)ethanethioamide

4-Methoxyphthalic acid

CHEMBRDG-BB 4015102

3-Fluoro-4-hydroxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

C8H5FN2O3 (196.0284)

6-(HYDROXYMETHYL)-2H-PYRIDO[3,2-B][1,4]THIAZIN-3(4H)-ONE

4-Chloro-7-methoxy-1-indanone

6-Nitropyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione

2-(4-Chloro-phenyl)-cyclopropanecarboxylic acid

2-(carboxymethyl)-6-hydroxybenzoic acid

1-(3,4-DIMETHYLPHENYL)-1H-PYRROLE-2,5-DIONE

3-Methoxyphthalic acid

2,6-DIOXO-2,3-DIHYDRO-1H-PURINE-9(6H)-CARBOXYLIC ACID

Potassium 2-methoxyethoxymethyltrifluoroborate

C4H9BF3KO2 (196.0285)

4,7-Dimethoxybenzo-2,1,3-thiadiazole

ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate

Propargyl benzenesulfonate

C9H8O3S (196.0194)

Dichloro(cyclohexyl)methylsilane

C7H14Cl2Si (196.0242)

1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)-4-OXAPENTANE

2-(Methanesulfonylamino)benzonitrile

4-chloro-indan-2-carboxylic acid

9-chloro-3,4-dihydro-2H-1-benzoxepin-5-one

2-(METHYLTHIO)-FURO[2,3-D]PYRIMIDINE-6-METHANOL

2,2-Bis(trifluoromethyl)propanol

3,4-Methylenedioxymandelic acid

1,3-benzodioxole-5-glycolic acid

A 2-hydroxy monocarboxylic acid that is mandelic acid in which positions 3 and 4 on the benzene ring are substituted by a methylenedioxy group.

7-CHLORO-3,4-DIHYDROBENZO[B]OXEPIN-5(2H)-ONE

2-(2-(Methylthio)pyrimidin-4-yl)malonaldehyde

2-Hydroxy-4-(methoxycarbonyl)benzoic acid

4-methoxycarbonyloxybenzoic acid

2-(1,3-benzodioxol-5-yloxy)acetic acid

1H-Benzimidazole,1-(methylsulfonyl)-

Chromane-2-carbonyl chloride

4-chloro-7-fluoro-2-methylquinazoline

C9H6ClFN2 (196.0204)

4-chloro-5-methoxy-2,3-dihydroinden-1-one

2-(2-Hydroxy-4-methoxyphenyl)-2-oxoacetic acid

(2R)-2-[(2-sulfonatoethyl)ammonio]propanoate

C5H10NO5S- (196.028)

(3R,5R)-clavulanate-9-aldehyde

C8H6NO5- (196.0246)

3-(N-acetyl-N-hydroxy)aminopropylphosphonate

C5H11NO5P- (196.0375)

Ghppt

C5H11NO5P- (196.0375)

2-Amino-5-phosphopentanoate

C5H11NO5P- (196.0375)

1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one

2,4-Dihydroxy-3-oxo-1,4-benzoxazin-7-olate

C8H6NO5- (196.0246)

2-hydroxy-4-[(E)-3-oxoprop-1-enyl]-2H-pyran-6-carboxylic acid

(3E,5Z,6E)-5-(hydroxymethylidene)-2,8-dioxoocta-3,6-dienoic acid

5-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid

(3E,5E)-4-[(Z)-2-hydroxyethenyl]-2,7-dioxohepta-3,5-dienoic acid

2-hydroxy-3-[(E)-3-oxoprop-1-enyl]-2H-pyran-6-carboxylic acid

4-hydroxy-3-nitrophenylacetate

C8H6NO5- (196.0246)

3-(4,6-Dihydroxy-3-oxocyclohexa-1,4-dien-1-yl)acrylic acid

An alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which one of the olefinic hydrogens at position 3 has been replaced by a 4,6-dihydroxy-3-oxocyclohexa-1,4-dien-1-yl group.

Methyl 2-chloro-3-phenylacrylate

3,4-Dihydroxyphenylpyruvic acid

3-(3,4-dihydroxyphenyl)-2-oxopropanoic acid

A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3,4-dihydroxyphenyl group.

xanthine-8-carboxylic acid

tauropinate(1-)

C5H10NO5S (196.028)

Conjugate base of tauropine in which the carboxy and sulfo groups are anionic and the amino group is protonated; major species at pH 7.3.

clavaldehyde(1-)

C8H6NO5 (196.0246)

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

3-METHOXY-4,5-METHYLENEDIOXYBENZOIC ACID

7-methoxy-2H-1,3-benzodioxole-5-carboxylic acid

4-Hydroxy-benzenepropanedioate

Methylenedioxymandelic acid

6-[(methylsulfanyl)carbonyl]pyridine-2-carboxamide

4,5,6-trihydroxy-7-methyl-3h-2-benzofuran-1-one

2-(but-3-en-1-yn-1-yl)-5-(penta-1,3-diyn-1-yl)thiophene

2,3-dihydro-3,6,7-trihydroxy-1-h-benzo[b]-pyran-4-one

{"Ingredient_id": "HBIN003987","Ingredient_name": "2,3-dihydro-3,6,7-trihydroxy-1-h-benzo[b]-pyran-4-one","Alias": "NA","Ingredient_formula": "C9H8O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5727","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

2,4,5-trihydroxycinnamic acid

{"Ingredient_id": "HBIN004230","Ingredient_name": "2,4,5-trihydroxycinnamic acid","Alias": "NA","Ingredient_formula": "C9H8O5","Ingredient_Smile": "C1=C(C(=CC(=C1O)O)O)C=CC(=O)O","Ingredient_weight": "196.16 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41660","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "25244000","DrugBank_id": "NA"}

2-(ethenylbutadiynl)-5-(propyny)-thiophene

{"Ingredient_id": "HBIN005591","Ingredient_name": "2-(ethenylbutadiynl)-5-(propyny)-thiophene","Alias": "NA","Ingredient_formula": "C13H8S","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25759","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

2-(ethenylbutadiynyl)-5-(propinyl)-thiophene