Exact Mass: 136.0637

CONFIDENCE standard compound; INTERNAL_ID 1029; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5795; ORIGINAL_PRECURSOR_SCAN_NO 5793 CONFIDENCE standard compound; INTERNAL_ID 1029; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1376; ORIGINAL_PRECURSOR_SCAN_NO 1371 CONFIDENCE standard compound; INTERNAL_ID 1029; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1366; ORIGINAL_PRECURSOR_SCAN_NO 1365 CONFIDENCE standard compound; INTERNAL_ID 1029; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5837; ORIGINAL_PRECURSOR_SCAN_NO 5833 CONFIDENCE standard compound; INTERNAL_ID 1029; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1367; ORIGINAL_PRECURSOR_SCAN_NO 1364 CONFIDENCE standard compound; INTERNAL_ID 1029; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5835; ORIGINAL_PRECURSOR_SCAN_NO 5832

N-Methylnicotinamide

N-Methylnicotinamide monohydrochloride

N-methylnicotinamide is a pyridinecarboxamide that is nicotinamide in which one of the amide hydrogens is substituted by a methyl group. N-methylnicotinamide is a metabolite of niacin (or nicotinamide) and is commonly found in human urine. However low levels of urinary excretion of N-methylnicotinamide indicates niacin deficiency. (PMID:16207585). In patients with liver cirrhosis nicotinamide methylation is increased leading to a rise in urinary N-methylnicotinamide. The hyperfunction of this methylating pathway might play a protective role against the toxic effect of intracellular accumulation of nicotinamide deriving from the catabolic state of cirrhosis. N-methylnicotinamide is known to inhibit choline transport and reduce choline clearance out of the brain. N-methylnicotinamide has been found to be a microbial metabolite. N-methylnicotinamide is a metabolite of niacin (or nicotinamide) and is commonly found in human urine. However low levels of urinary excretion of N-methylnicotinamide indicates niacin deficiency. (PMID: 16207585). In patients with liver cirrhosis nicotinamide methylation is increased leading to a rise in urinary N-methylnicotinamide. The hyperfunction of this methylating pathway might play a protective role against the toxic effect of intracellular accumulation of nicotinamide deriving from the catabolic state of cirrhosis. N-methylnicotinamide is known to inhibit choline transport and reduce choline clearance out of the brain. [HMDB] A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05A - Bile therapy > A05AB - Preparations for biliary tract therapy N-Methylnicotinamide is an endogenous metabolite. N-Methylnicotinamide is an endogenous metabolite.

2-Aminobenzamide

2-Carbamoylaniline, anthranilimidic acid

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents Acetaldehyde scavenger for polyethylene beverage bottles. Acetaldehyde scavenger for polyethylene beverage bottles D004396 - Coloring Agents > D005456 - Fluorescent Dyes

2-Methylnicotinamide

2-Methylpyridine-3-carboxamide

2-Methylnicotinamide is a member of the class of compounds known as nicotinamides. Nicotinamides are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group. 2-methylnicotinamide is soluble (in water) and a very weakly acidic compound (based on its pKa).

1,2-Diacylglycerol-LD-PE-pool

2,2-Bis(hydroxymethyl)-1,3-propanediol

1,2-Diacylglycerol-LD-PE-pool, also known as Auxitrans or Hydrafuca, is classified as a member of the Primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). 1,2-Diacylglycerol-LD-PE-pool is considered to be soluble (in water) and relatively neutral A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AD - Osmotically acting laxatives

2-Deoxy-D-ribitol

pentane-1,2,3,5-tetrol

2-Deoxy-D-ribitol is found in herbs and spices. 2-Deoxy-D-ribitol is a constituent of the fruit of Foeniculum vulgare (fennel). Constituent of the fruit of Foeniculum vulgare (fennel). 2-Deoxy-D-ribitol is found in herbs and spices.

1-Deoxy-D-ribitol

pentane-1,2,3,4-tetrol

1-Deoxy-D-xylitol is found in herbs and spices. 1-Deoxy-D-xylitol is a constituent of the fruit of Foeniculum vulgare (fennel). Constituent of the fruit of Foeniculum vulgare (fennel). 1-Deoxy-D-xylitol is found in herbs and spices.

3-Deoxy-D-arabinitol

1,2,4,5-Tetrahydroxypentane

3-Deoxy-D-arabinitol is found in herbs and spices. 3-Deoxy-D-arabinitol is a constituent of the fruit of Foeniculum vulgare (fennel)

2-Methylerythritol

[S-(R,S)]-2-Methyl-1,2,3,4-butanetetrol

2-C-methyl-D-erythritol is a soluble carbohydrate that is found in certain higher plants. In particular, it can be found in the petals, leaves and stems of certain flowering plants (PMID: 15384409). 2-Methylerythritol or 2-C-methyl-D-erythritol is likely a dephosphorylated form of 2-C-methyl-D-erythritol-4-phosphate. 2-C-methyl-D-erythritol-4-phosphate (MEP) is a central component to the non-mevalonate pathway for isoprenoid synthesis. This pathway is unique to certain gram negative and a few gram positive bacteria as well as plants and apicomplexan protozoa such as malaria parasites. Isoprenoid compounds are a diverse group of natural products that are essential components in all cells. Isoprenoids are biosynthesized from the simple precursors isopentenyl diphosphate (IPP) and dimethylallyl diphosphate (DMAPP). IPP and DMAPP serve as the basis for the biosynthesis of molecules used in processes as diverse as protein prenylation, cell membrane maintenance, hormones, protein anchoring and N-glycosylation. 2-Methylerythritol is occasionally found in human urine specimens and is believed to be from exogenous dietary sources (plant products, leafy salads) or possibly produced by certain species of gut microflora. 2-C-methyl-D-erythritol is a soluble carbohydrate that can be found in higher plants (PMID: 15384409) [HMDB]

1,2-Diacylglycerol-Bile-PC-pool

1,2-Diacylglycerol-Bile-PC-pool, also known as 1-Phenylurea or amino-N-Phenylamide, is classified as a member of the N-phenylureas. N-phenylureas are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group. 1,2-Diacylglycerol-Bile-PC-pool is considered to be slightly soluble (in water) and acidic

2-Acetyl-3-methylpyrazine

Methyl (3-methylpyrazinyl) ketone, 8ci

2-Acetyl-3-methylpyrazine is found in cereals and cereal products. Aroma constituent of spiny lobster (Panulirus argus) roasted sesame see

4-Acetyl-2-methylpyrimidine

1-(2-Methyl-4-pyrimidinyl)ethanone, 9ci

4-Acetyl-2-methylpyrimidine is found in animal foods. 4-Acetyl-2-methylpyrimidine is a flavouring ingredient. 4-Acetyl-2-methylpyrimidine is present in cooked meats. 4-Acetyl-2-methylpyrimidine is a flavouring ingredient. It is found in cooked meats and other animal foods.

2-C-Methyl-D-erythritol

2-methylbutane-1,2,3,4-tetrol

3-Aminobenzamide

3-aminobenzene-1-carboximidic acid

4-Aminobenzamide

Para-aminobenzamide

4-Hydroxy-benzamidine

4-hydroxybenzene-1-carboximidamide

5-Methylnicotinamide

3-Pyridinecarboxamide,5-methyl-

Benzamidoxime

N-Hydroxybenzenecarboximidamide

Benzohydrazide

benzenecarbohydrazonic acid

6-Methylnicotinamide

6-Methylnicotinamide, a derivate of nicotinamide, is an endogenous metabolite. A sudden increase of 6-methylnicotinamide in the acute stages of intracerebral hemorrhage (ICH) exacerbates neurological damages[1].

3-aminobenzamide

D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D011838 - Radiation-Sensitizing Agents D020011 - Protective Agents D004791 - Enzyme Inhibitors

CONFIDENCE standard compound; INTERNAL_ID 912; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5795; ORIGINAL_PRECURSOR_SCAN_NO 5793 CONFIDENCE standard compound; INTERNAL_ID 912; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1367; ORIGINAL_PRECURSOR_SCAN_NO 1364 CONFIDENCE standard compound; INTERNAL_ID 912; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1366; ORIGINAL_PRECURSOR_SCAN_NO 1365 CONFIDENCE standard compound; INTERNAL_ID 912; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1380; ORIGINAL_PRECURSOR_SCAN_NO 1377 CONFIDENCE standard compound; INTERNAL_ID 912; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1367; ORIGINAL_PRECURSOR_SCAN_NO 1364 CONFIDENCE standard compound; INTERNAL_ID 912; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1353; ORIGINAL_PRECURSOR_SCAN_NO 1351 CONFIDENCE standard compound; INTERNAL_ID 2762 CONFIDENCE standard compound; INTERNAL_ID 8659 CONFIDENCE standard compound; INTERNAL_ID 8114 CONFIDENCE standard compound; INTERNAL_ID 4136

1-methyl-2-(nitrosomethylidene)pyridine

(E)-3-(1H-Pyrrol-3-yl)-2-propensaeureamid|(E)-3-(1H-pyrrol-3-yl)prop-2-enamide|Amide-(E)-3-(1H-Pyrrol-3-yl)-2-propencic acid

Benzaldehyde, 4-amino-, oxime

1-(6-Methyl-2-pyrazinyl)ethanone

1-(5-methylpyrazin-2-yl)ethanone

o-Aminobenzaldoxim

N-Nitrosomethylaniline

N-Nitroso-N-methylaniline

CONFIDENCE standard compound; EAWAG_UCHEM_ID 3357

Pralidoxime

KEIO_ID P056

N-Methylnicotinamide

A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05A - Bile therapy > A05AB - Preparations for biliary tract therapy A pyridinecarboxamide that is nicotinamide in which one of the amide hydrogens is substituted by a methyl group. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; ZYVXHFWBYUDDBM-UHFFFAOYSA-N_STSL_0209_N-Methylnicotinamide_0031fmol_180831_S2_L02M02_80; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. N-Methylnicotinamide is an endogenous metabolite. N-Methylnicotinamide is an endogenous metabolite.

Trigonellinamide

3-Methylerythritol

[S-(R,S)]-2-Methyl-1,2,3,4-butanetetrol

2-Acetyl-3-methylpyrazine

Methyl (3-methylpyrazinyl) ketone, 8ci

D-Threo-form

Pentane-1,2,4,5-tetrol

2-Deoxy-D-ribitol

pentane-1,2,3,5-tetrol

FEMA 3654

1-(2-Methyl-4-pyrimidinyl)ethanone, 9ci

5-Deoxyribitol

pentane-1,2,3,4-tetrol

Benzamideoxime

N-Hydroxybenzenecarboximidamide

1-cyclopropyl-1H-pyrazole-4-carbaldehyde

2,4,6,8-Tetraoxanonane

3-(3-FLUOROPHENYL)-1-PROPENE

Methyltrimethoxysilane

C4H12O3Si (136.0556)

6,7-Dihydroimidazo[1,5-a]pyridin-8(5H)-one

1,5,6,7-Tetrahydrocyclopenta[d]pyrimidin-4-one

DL-Aspartic acid-d3

C4H4D3NO4 (136.0563)

1-(PYRAZIN-2-YL)PROPAN-1-ONE

1H,3H-Oxazolo[3,4-d][1,4]diazepine(9CI)

(2R)-6-chlorohexan-2-ol

2-Ethylpyrimidine-5-carbaldehyde

Trimethyl(1,4-pentadiyn-1-yl)silane

2,3-Dihydro-1H-pyrido[3,4-b][1,4]oxazine

2,3-Dihydro-1H-pyrido[2,3-b][1,4]oxazine

3-Acetamidopyridine

Acetamide,N-3-pyridinyl-

2-Amino-5-methylnicotinaldehyde

adenine-2-d1

C5H4DN5 (136.0608)

5-(Aminomethyl)-3-pyridinecarboxaldehyde

1-(2-Aminopyridin-4-yl)ethanone

3-Methylpicolinamide

Tetramethoxymethane

Tetravinylsilane

Dimethylphenylsilane

1,5,6,7-Tetrahydro-4H-indazol-4-one

5-AMINO-3-ACETYLPYRIDINE

3,4-Dihydropyrrolo[1,2-a]pyrazin-1(2H)-one

1-Hydrazino-3-(methylthio)propan-2-ol

C4H12N2OS (136.067)

aminoguanidine carbonate

C2H8N4O3 (136.0596)

L-Aspartic acid-d3

C4H4D3NO4 (136.0563)

5-Fluoro-2,3-dihydro-1H-indene

1-Cyclopropyl-4-fluorobenzene

2-Amino-4-Methyl-3-pyridinecarboxaldehyde

1-(2-methylpyrimidin-5-yl)ethanone

4(1H)-Pyrimidinone, 2-cyclopropyl- (9CI)

m-Tolylboronic acid

2-METHYL-6-OXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBONITRILE

3-Methylisonicotinamide

N-METHYL-N-(PYRIDIN-2-YL)FORMAMIDE

1-Allyl-1H-pyrazole-3-carbaldehyde

Methyl 2-pyridinecarboximidate

1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbaldehyde

BENZENE, 1-CYCLOPROPYL-3-FLUORO-

2-Chloroethyl n-butyl ether

5-isocyanato-2-methylpyridine

1-ethenyl-3-methylpyrazole-4-carbaldehyde

salicylaldehyde hydrazone

2-amino-6-methylpyridine-3-carbaldehyde

2H-Pyrido[4,3-b]-1,4-oxazine,3,4-dihydro-(9CI)

N-(PYRIDIN-4-YL)ACETAMIDE

2-(1-Ethoxyethylidene)malononitrile

2-amino-1-pyridin-4-yl-ethanone

2-PYRIDINECARBOXAMIDE, 6-METHYL-

Ethyl Isopropyl Sulfone

1,4,6,7-Tetrahydro-5H-indazol-5-one

4-FLUORO-2-METHYL-1-VINYL-BENZENE

1-(3-Amino-4-pyridinyl)ethanone

Formaldehyde, (2-phenylhydrazinyl)-

3,4-Dihydro-2H-pyrido[3,2-b][1,4]oxazine

2-Amino-3-acetylpyridine

3-cyclopropyl-1H-pyridazin-6-one

1H-Azepine-1-carboxamide(7CI,8CI)

tolylboronic acid

4-Pyridineacetamide

6-(methylamino)nicotinaldehyde

4-Methylnicotinamide

1-(PYRAZIN-2-YL)PROPAN-2-ONE

1H,3H-Pyrimido[1,6-c][1,3]oxazine(9CI)

1-Chloro-4-ethoxybutane

1-Chloro-3-isopropoxypropane

Pyrrolo[1,2-a]pyrimidin-6(2H)-one, 3,4-dihydro- (9CI)

3-Furancarbonitrile,2-amino-4,5-dimethyl-

2,2-dimethoxypropane-1,3-diol

2-(Aminomethyl)-4-pyridinecarboxaldehyde

2-(methylamino)pyridine-3-carbaldehyde

2-(Aminomethyl)-3-pyridinecarboxaldehyde

bis(dimethylphosphino)methane

C5H14P2 (136.0571)

3-ethylsulfanylpropane-1,2-diol

4-Pyridinecarboxamide,2-methyl-(9CI)

6,7-Dihydro-1H-indazol-4(5H)-one

4-Tolylboronic acid

Aminoguanidine bicarbonate

C2H8N4O3 (136.0596)

(2Z)-2-(1-Nitrosoethylidene)-1H-pyridine

1-(3-Amino-2-pyridinyl)ethanone

2,4-DIAMINO BENZALDEHYDE

Methyldiethoxyphosphine

C5H13O2P (136.0653)

1-Fluoro-4-(1-methylethenyl)benzene

2-(2-methoxyethoxy)ethanethiol

N-(pyridin-2-ylmethyl)formamide

6-hydroxy-5-azaindoline

N-Methyl-2-Pyridinecarboxamide

4,5-DIHYDRO-1H-BENZO[D]IMIDAZOL-6(7H)-ONE

1H-pyrrolo[2,3-b]pyridine,hydrate

6-Chlorohexanol

1H,3H-Oxazolo[3,4-a][1,4]diazepine(9CI)

1,1-Dimethoxy-2-(methylthio)ethane

1-(6-Methylpyrimidin-4-yl)ethanone

Pyridine-2-acetamide

1-(6-Amino-3-pyridinyl)ethanone

4,4-Difluorocyclohexanol

C6H10F2O (136.07)

4-fluoro-2,3-dihydro-1H-indene

5-METHYL-1-VINYL-1H-PYRAZOLE-4-CARBALDEHYDE

2-Pyridinecarboxamide,4-methyl-(9CI)

1H-pyrazole-4-carboxaldehyde, 1-(2-propenyl)-

(2,2,4,4-2H4)Pentanedioic acid

C5H4D4O4 (136.0674)

2-cyclopropylpyrimidin-5-ol

3-(4-FLUOROPHENYL)-1-PROPENE

1-(3-Pyridinyl)-1-ethanone oxime

N-(2-Pyridinyl)acetamide

2-(Pyridin-3-yl)acetamide

Ethanone,1-(4-pyridinyl)-, oxime

Benzylboronic acid

6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbaldehyde

2,3-DIHYDROIMIDAZO[1,2-A]PYRIDIN-5(1H)-ONE

N-Hydroxybenzenecarboximidamide

A member of the class of amidoximes obtained by formal condensation of the carbonyl group of benzamide with hydroxylamine.

2-Methylbutane-1,2,3,4,-tetrol

3-[(2-Hydroxyethyl)thio]-1-propanol

An aliphatic sulfide that is propan-1-ol substituted by a (2-hydroxyethyl)thio group at position 3.

PENTAERYTHRITOL

A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AD - Osmotically acting laxatives

Felosan

3-Pyridinecarboxamide, N-methyl- (9CI)

A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05A - Bile therapy > A05AB - Preparations for biliary tract therapy N-Methylnicotinamide is an endogenous metabolite. N-Methylnicotinamide is an endogenous metabolite.

2-Methylerythritol

A tetritol that is erythritol substituted by a methyl group at position 2.

(2E)-1-methyl-2-(nitrosomethylidene)pyridine

2-Deoxy-D-erythro-pentitol

Dimethyl(phenyl)silane-d

Anthranilamide

2-AMINOBENZAMIDE

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes

Benzohydrazide

4-Acetyl-2-methylpyrimidine

4-acetyl-2-methyl pyrimidine

1-deoxy-d-ribitol

2-methylnicotinamide

A pyridinecarboxamide that is nicotinamide substituted by a methyl group at C-2.

Pentane-1,2,4,5-tetrol

Deoxy-ribitol

Acetylmethylpyrazine

1-deoxy-d-lyxitol

{"Ingredient_id": "HBIN002478","Ingredient_name": "1-deoxy-d-lyxitol","Alias": "NA","Ingredient_formula": "C5H12O4","Ingredient_Smile": "CC(C(C(CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15001","TCMID_id": "5191","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

1-deoxy-d-xylitol

{"Ingredient_id": "HBIN002480","Ingredient_name": "1-deoxy-d-xylitol","Alias": "NA","Ingredient_formula": "C5H12O4","Ingredient_Smile": "CC(C(C(CO)O)O)O","Ingredient_weight": "136.15 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5219","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10796790","DrugBank_id": "NA"}

1-deoxy-l-arabinitol

{"Ingredient_id": "HBIN002483","Ingredient_name": "1-deoxy-l-arabinitol","Alias": "NA","Ingredient_formula": "C5H12O4","Ingredient_Smile": "CC(C(C(CO)O)O)O","Ingredient_weight": "136.15 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5153","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "90146781","DrugBank_id": "NA"}

1-deoxyxylitol

{"Ingredient_id": "HBIN002490","Ingredient_name": "1-deoxyxylitol","Alias": "NA","Ingredient_formula": "C5H12O4","Ingredient_Smile": "NA","Ingredient_weight": "136.15","OB_score": "NA","CAS_id": "68832-17-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9216","PubChem_id": "NA","DrugBank_id": "NA"}

2-amino-4,5-dimethyl-3-furonitrile

{"Ingredient_id": "HBIN005307","Ingredient_name": "2-amino-4,5-dimethyl-3-furonitrile","Alias": "NA","Ingredient_formula": "C7H8N2O","Ingredient_Smile": "CC1=C(OC(=C1C#N)N)C","Ingredient_weight": "136.15 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40751","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "290220","DrugBank_id": "NA"}

2-c-methyl-d-erythritol

{"Ingredient_id": "HBIN005463","Ingredient_name": "2-c-methyl-d-erythritol","Alias": "NA","Ingredient_formula": "C5H12O4","Ingredient_Smile": "CC(CO)(C(CO)O)O","Ingredient_weight": "136.15 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14412","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "138113829","DrugBank_id": "NA"}

2-deoxy-d-ribitol1

{"Ingredient_id": "HBIN005526","Ingredient_name": "2-deoxy-d-ribitol1","Alias": "NA","Ingredient_formula": "C5H12O4","Ingredient_Smile": "C(CO)C(C(CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15004","TCMID_id": "5207","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

4-aminobenzaldoxime

4-aminobenzaldehyde oxime; (NE)-N-[(4-aminophenyl)methylidene]hydroxylamine