Exact Mass: 214.0776

L-tryptophan isonitrile

Methyl bisnorbiotinyl ketone

[3AS-(3aa,4b,6aa)]-tetrahydro-4-(3-oxobutyl)-1H-thieno[3,4-D]imidazol-2(3H)-one

Methyl bisnorbiotinyl ketone is a natural biotin metabolite in human urine. (PMID 9039841). The urinary excretion of Methyl bisnorbiotinyl ketone a increased with biotin administration. (PMID 9022537). Methyl bisnorbiotinyl ketone is a natural biotin metabolite in human urine. (PMID 9039841)

4-(4-Nitrobenzyl)pyridine

4-(4-Nitrobenzyl)pyridine monoperchlorate

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents

Etanidazole

N-(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-yl)ethanimidic acid

C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents

2-Benzyl-3-nitropyridine

Botryolide E

Guaiacylglycerol

(1R,2S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol

dmst

N,N-Dimethyl-N-p-tolylsulphamide

CONFIDENCE standard compound; EAWAG_UCHEM_ID 340 EAWAG_UCHEM_ID 340; CONFIDENCE standard compound

2-methyl-4-phenylpyrimidine-5-carboxylic acid

4-(4-Nitrobenzyl)pyridine

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents

9-Oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carbonitrile

MLS000862052

1,4-bis(hydroxymethyl)-3-hydroxy-3,4,6,7,3a,7a-hexahydro-6-oxainden-5-one|morindacin

nosporin A

Loganic acid

C12H10N2O2

SCHEMBL8395054

Acetomycin

1.1-Dimethyl-cyclobutan-essigsaeure-(4)-oxalylsaeure-(2)|2-Oxo-2,2-(2,2-dimethyl-cyclobutan-1,3-diyl)-di-essigsaeure|2-oxo-2,2-(2,2-dimethyl-cyclobutane-1,3-diyl)-di-acetic acid|Pinoyl-ameisensaeure

C10H14O5

(3R,4S,5R,7S,8S,9S)-3,8-epoxy-1,7di-hydroxydihyronepetalactone|jatamanin E

Buergerinin D

Decarestrictine B

multiplolide A

A 10-membered lactone obtained from 10-methyl-9,10-dihydro-2H-oxecin-2-one by the epoxidation of the double bond at position 3-4 and cis-dihydroxylation of the double bond at position 7-8. Multiplolide A was first isolated from the fungus Xylaria multiplex BCC 1111. It shows antifungal activity against Candida albicans.

callysponine

(+-)-trans-Seneciphyllinsaeure|(R,E)-Seneciphyllic acid|Senecinphyllinsaeure|seneciphyllic acid|Seneciphyllinsaeure|trans-(+-)-Seneciphyllinsaeure

Caerulomycin E

Dibenzyl sulfide

(+)-threo-1-C-guaiacylglycerol

C14H14S

SCHEMBL7736874

5,6-bis(hydroxymethyl)-4,5,6,8-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one|enicostemin A

nuzhenal A

4,5,6-trihydroxy-3-methyl-3,4,6,7-tetrahydro-1H-isochromen-8(5H)-one

3,4,4,5-Tetramethoxy-2,5-cyclohexadien-1-one|3,4,4,5-tetramethoxycyclohexa-2,5-dien-1-one|3,4,4,5-Tetramethoxycyclohexa-2,5-dienon|3,4,4,5-tetramethoxycyclohexa-2,5-dienone|pisodienone

Irisdichototin D

183075-03-8

Fareanol

isopaeonisuffral

1-(3-hydroxy-5-methoxyphenyl)propane-1,2,3-triol

methyl 1-hydroxy-2-methoxy-5-ene-4-oxocyclohexanacetate

paeonisuffral

Pestalotiopyrone D

4,4-Dimethyl-7??,8??-dihydroxy-3,5-dioxobicyclo[4.3.1]dec-1(10)-en-2-one

(1R,4R,4aS,7aS)-4,7-Dihydroxymethyl-1-hydroxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one|1beta-hydroxy-4-epigardendiol

etanidazole

C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents

Cyh-chid

1,3-Benzodioxole-5-carboxylic acid, 3a,6,7,7a-tetrahydro-7-hydroxy-2,2-dimethyl-,[3aR-(3aalpha,7alpha,7aalpha)]-

3,4-O-Isopropylidene-shikimicn acid is a natural product that can be isolated from the whole plants of Hypericum wightianum. 3,4-O-Isopropylidene-shikimic acid has anti-inflammatory effect and antioxidant activities[1][2].

Debenzoylpaeoniflorgenin

5-(hydroxymethyl)-6-(1-hydroxypropyl)-4-methoxypyran-2-one

NCGC00381444-01!5-(hydroxymethyl)-6-(1-hydroxypropyl)-4-methoxypyran-2-one

4-Nitrodiphenylamine

4-Nitro-N-phenylaniline

CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4895; ORIGINAL_PRECURSOR_SCAN_NO 4894 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4880; ORIGINAL_PRECURSOR_SCAN_NO 4876 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4916; ORIGINAL_PRECURSOR_SCAN_NO 4913 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4917; ORIGINAL_PRECURSOR_SCAN_NO 4916 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5005; ORIGINAL_PRECURSOR_SCAN_NO 5000 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4918; ORIGINAL_PRECURSOR_SCAN_NO 4915

Methyl bisnorbiotinyl ketone

Curvulalide

4R,7S,8R-trihydroxy-2Z,5E-decadien-9R-olide

tert-butyl N-methyl-N-(1,3-thiazol-2-yl)carbamate

4AMINO3NITROBIPHENYL

1-(4-Fluorophenyl)-2-phenylethanone

Diethyl Phenylphosphonate

C10H15O3P (214.0759)

DIALLYL MALATE

1,4-dimethylendothall

4-fluoro-4-methylbenzophenone

aaem

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine oxalate

6-(2-AMINO-PHENYL)-PYRIDINE-2-CARBOXYLIC ACID

2,3-Butanediol,2-(3-chlorophenyl)-3-methyl-

Propanedinitrile,2-[(3,4-dimethoxyphenyl)methylene]-

Benzene,1-chloro-4-(diethoxymethyl)-

Bis(4-methylphenyl) sulfide

4-Acetyl-2-fluorobiphenyl

5-oxo-cyclohexane-1,3-dicarboxylic acid dimethyl ester

2-PhenoxyMethylpyrimidine-4-carbaldehyde

alpha-pyridoin

6-PHENYL-2-PYRAZINECARBOXYLIC ACID METHYL ESTER

N N-DIETHYL-4-NITROSOANILINE HYDROCHLOR&

methyl 2-phenylpyrimidine-5-carboxylate

5-AMINO-1-(4-METHOXYPHENYL)-1H-PYRAZOLE-4-CARBONITRILE

5-Cyano-2-methylindole-3-acetic acid

Benzenesulfonamide,3-amino-N,N,4-trimethyl-

2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)propanoic acid

2-(3-METHOXYPHENYL)PYRIMIDINE-5-CARBOXALDEHYE

3-(ETHOXYCARBONYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID

2-(PHENYLAMINO)NICOTINIC ACID

Sudan Orange G

1-(2-chloroethoxy)-2-propan-2-yloxybenzene

2,2-dihydroxyazobenzene

4-(6-methylpyrazin-2-yl)oxybenzaldehyde

8-ethoxy-4-oxo-1H-quinoline-3-carbonitrile

N-(TERT-BUTYL)PYRIDINE-3-SULFONAMIDE

3-Benzyloxy-propionamidine HCl

N,N-DIMETHYLBENZYLSULFAMIDE

4-AMINO-N-METHYLBENZENEETHANESULFONAMIDE

Ethyl 5-cyanoindole-2-carboxylate

2-Nitrodiphenylamine

(R)-4-CHLORO-1,3-BUTANEDIOL

(3-PHENOXYPHENYL)BORONIC ACID

2H-Isoindole-2-butanenitrile,1,3-dihydro-1,3-dioxo-

3-(7-Cyano-1H-indol-3-yl)propanoic acid

4-(1-methyl-6-oxopyridazin-3-yl)benzaldehyde

N-(2-Hydroxyphenyl)-2-pyridinecarboxamide

(4-Hydroxy-4-biphenylyl)boronic acid

2,3-o-cyclohexylidene-l(-)-erythruronolactone

Methyl 2-amino-4-(tert-butyl)thiazole-5-carboxylate

3-(2,5-DIOXO-HEXAHYDRO-IMIDAZO[4,5-D]IMIDAZOL-1-YL)-PROPIONIC ACID

Phenol,4,4-(1,2-diazenediyl)bis-

PYRIDIN-3-YL-CARBAMIC ACID PHENYL ESTER

S-Benzyl(2,3,3-2H3)cysteine

C10H10D3NO2S (214.0855)

4-(4-methoxypyrimidin-2-yl)benzaldehyde

2-nitro-6-phenylaniline

3-nitro-N-phenylaniline

methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate

2-phenoxypyridine-3-carboxamide

4-Amino-N-isopropylbenzenesulfonamide

2,2-dimethyl-5-(2-methylpropanoyl)-1,3-dioxane-4,6-dione

3-chloroadamantanecarboxylic acid

2-chloro-N-(1-cyanocycloheptyl)acetamide

3-(Acryloyloxy)-2-hydroxypropyl methacrylate

N-Isopropyl 3-aminobenzenesulfonamide

3-(4-fluoro-3-methylphenyl)benzaldehyde

1,3-dipyridin-2-ylurea

Phenaglycodol

C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent

Ethyl 2-amino-5-isopropylthiazole-4-carboxylate

4-Methyl-2,2-bipyridine-4-carboxylic acid

benzylsulfide

2,4,6-Trimethylbenzene-1-sulfonohydrazide

N-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide

N-(5-aminopyrimidin-2-yl)benzamide

2-PHENOXYPHENYLBORONIC ACID

6-PHENYLAMINO-NICOTINIC ACID

4-Nitro-2-biphenylamine

ethyl 2-cyano-2-(4-cyanophenyl)acetate

2-Amino-N-isopropylbenzenesulfonamide

2-Amino-N-propylbenzenesulfonamide

1-(2-Cyanoethyl)indole-6-carboxylic acid

1-(Cyclopropylsulfonyl)piperidine-4-carbonitrile

1-Phenyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole

C10H9F3N2 (214.0718)

4,4-Diethoxy-1,1,1-trifluoro-2-butanone

C8H13F3O3 (214.0817)

4-Nitro-4-biphenylamine

N-(2-formylquinolin-6-yl)acetamide

3-(aminomethyl)-N,N-dimethylbenzenesulfonamide

Phenylazoresorcinol

2-(3-Fluorophenyl)-1-phenylethanone

4-methyl-5-nitro-2-phenylpyridine

4-methyl-3-nitro-2-phenylpyridine

4-Phenoxyphenylboronic acid

3-(5-Methoxy-1H-indol-3-yl)-3-oxopropanenitrile

N-METHYL-2-METHYLAMINO-N-PHENYLACETAMIDEHYDROCHLORIDE

TERT-BUTYL (4-METHYLTHIAZOL-2-YL)CARBAMATE

5-(3-HYDROXYPHENYL)-PYRIDINE-3-CARBOXAMIDE

4-(4-methyl-3-nitrophenyl)pyridine

hydroxymethyldiphenylsilane

C13H14OSi (214.0814)

2-Methyl-4-phenyl-5-pyrimidinecarboxylic acid

2-AMINO-5-(4-METHOXY-PHENYL)-FURAN-3-CARBONITRILE

ETHYL 2-AMINO-4-ISOPROPYLTHIAZOLE-5-CARBOXYLATE

2 3-NAPHTHALENEDICARBOXAMIDE

Bamnidazole

1H-Imidazole-1-ethanol,2-methyl-5-nitro-, 1-carbamate

C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent

5-amino-N,N,2-trimethyl-benzenesulfonamide

threo-Guaiacylglycerol

Diethylene glycol diacrylate

4-METHYL-2-PHENYL-5-PYRIMIDINECARBOXYLIC ACID

Benzenesulfonamide,N-(2-aminoethyl)-4-methyl-

2-(4-Fluorophenyl)-1-phenylethanone

5-TERT-BUTYL-1,3,4-THIADIAZOLE-2-CARBOXYLICACIDETHYLESTER

Pyridin-4-yl-carbamic acid phenyl ester

3-Quinolinecarbonitrile,7-ethoxy-4-hydroxy-(9CI)

3-(2-METHOXYBENZYLOXY)PROPYL CHLORIDE

3-[dimethyl(trimethylsilylmethyl)silyl]prop-2-ynoate

C9H18O2Si2 (214.0845)

3-Nitrobiphenyl-4-ylamine

tert-butyl 3,5-difluorobenzoate

C11H12F2O2 (214.0805)

5-(4-chlorophenoxy)pentan-1-ol

4-CHLOROMETHYL-1,2-DIETHOXY-BENZENE

4-AMINO-N-PROPYL-BENZENESULFONAMIDE

1H-INDOLE-3-PROPANOIC ACID, 5-CYANO-

(3-Cyano-2-methyl-indol-1-yl)-acetic acid

N-(prop-2-ynoxymethyl)morpholine-4-carbothioamide

N-[3-(AMINOMETHYL)PHENYL]-N-METHYLACETAMIDEHYDROCHLORIDE

Ethyl 2-(dimethylaminomethyl)-4-thiazolecarboxylate

ETHYL 2,2-DIFLUORO-2-(O-TOLYL)ACETATE

C11H12F2O2 (214.0805)

(3aR,4S,5R,6aS)-4-[(Acetyloxy)methyl]hexahydro-5-hydroxy-2H-cyclopenta[b]furan-2-one

5-Methyl-2-(2-pyrimidinyl)benzoic acid

4-(Chloromethyl)-1-isopropoxy-2-methoxybenzene

3-(6-methylpyrazin-2-yl)oxybenzaldehyde

glyphosate-dimethylammonium

C5H15N2O5P (214.0719)

Borreriagenin

Pyridine,2-[(4-nitrophenyl)methyl]-

3,4-di-o-acetyl-6-deoxy-l-glucal

2-Amino-1-(4-(dimethylamino)phenyl)ethanone hydrochloride

4-(Ethylsulfonyl)-N1-methyl-1,2-benzenediamine

2-amino-N-(2,6-dimethylphenyl)acetamide hydrochloride

N-(2-aminophenyl)pyrazine-2-carboxamide

N-(2-hydroxyphenyl)pyridine-3-carboxamide

N-(2-Hydroxyphenyl)-4-pyridinecarboxamide

1-(Tetrahydro-2-pyranyl)-5-fluorouracil

1-Valeryl-5-fluorouracil

5-Fluoro-3-(tetrahydropyran-2-yl)uracil

5-Fluoro-1-[(oxolan-2-yl)methyl]pyrimidine-2,4(1H,3H)-dione

5-(Hydroxymethyl)-6-(1-hydroxypropyl)-4-methoxypyran-2-one

(1r,2s,3r,4s)-2,3-Dimethyl-7-Oxabicyclo[2.2.1]heptane-2,3-Dicarboxylic Acid

(1S,2S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol

3-Furan-2-yl-N-pyridin-3-yl-acrylamide

3-Methyl-1-(tetrahydrofuran-2-yl)-5-fluorouracil

1-Methyl-3-(tetrahydrofuran-2-yl)-5-fluorouracil

N,N-dimethyl-N-p-tolylsulfamide

A member of the class of sulfamides that is N,N-dimethylsulfuric diamide substituted by a 4-methylphenyl group at the amino nitrogen atom. It is a metabolite of the agrochemical tolylfluanid.

(+)-(7S,8S)-guaiacylglycerol

The (-)-(7S,8S)-stereoisomer of guaiacylglycerol. It has been isolated from the stems of Sinocalamus affinis.

(-)-(7R,8S)-guaiacylglycerol

The (-)-(7R,8S)-stereoisomer of guaiacylglycerol. It has been isolated from the stems of Sinocalamus affinis.

3-[5-(hydroxymethyl)-5-methyl-2-oxofuran-3-yl]-2-methylpropanoic acid

methyl 4-(acetyloxy)-3-hydroxycyclohex-1-ene-1-carboxylate

7-(methylsulfanyl)trideca-1,3,5,7-tetraen-9,11-diyne

6-hydroxy-7-methyl-1-oxo-hexahydro-3h-cyclopenta[c]pyran-4-carboxylic acid

(1r,4r,4as,7as)-4,7-dihydroxymethyl-1-hy-droxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one

{"Ingredient_id": "HBIN003122","Ingredient_name": "(1r,4r,4as,7as)-4,7-dihydroxymethyl-1-hy-droxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one","Alias": "NA","Ingredient_formula": "C10H14O5","Ingredient_Smile": "C1C=C(C2C1C(C(=O)OC2O)CO)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6034","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

4,4-dimethyl-7α,8β-dihydroxy-3,5-dioxobicyclo[4.3.1]dec-1(10)-en-2-one