Exact Mass: 311.0361

Exact Mass Matches: 311.0361

Found 182 metabolites which its exact mass value is equals to given mass value 311.0361, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Flurochloridone

3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

C12H10Cl2F3NO (311.0092)


   

Flurochloridone

Fluorochloridone

C12H10Cl2F3NO (311.0092)


D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

   

Aristolochic

10-Nitro-3,4-(epoxymethanoxy)phenanthrene-1-carboxylic acid

C16H9NO6 (311.043)


Aristolochic acid B is an aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions and by a nitro group at position 10. It has a role as a carcinogenic agent, a metabolite, a mutagen, a nephrotoxin and a toxin. It is a C-nitro compound, a member of aristolochic acids, an aromatic ether, a cyclic acetal, a monocarboxylic acid and an organic heterotetracyclic compound. Aristolochic acid II is a natural product found in Aristolochia, Aristolochia macrophylla, and other organisms with data available. See also: Aristolochia fangchi root (part of). An aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions and by a nitro group at position 10. Aristolochic acid B is one of the major components of Aristolochic acids (AA) which are natural products derived from taxa in the Aristolochiaceae. Aristolochic acid is known to be a potent mutagen and carcinogen. Aristolochic acid B showes more carcinogenic risk than Aristolochic acid A in vivo[1]. Aristolochic acid B is one of the major components of Aristolochic acids (AA) which are natural products derived from taxa in the Aristolochiaceae. Aristolochic acid is known to be a potent mutagen and carcinogen. Aristolochic acid B showes more carcinogenic risk than Aristolochic acid A in vivo[1].

   

4'-Hydroxydiclofenac

2-{2-[(2,6-dichloro-4-hydroxyphenyl)amino]phenyl}acetic acid

C14H11Cl2NO3 (311.0116)


4-Hydroxydiclofenac is only found in individuals that have used or taken Diclofenac. 4-Hydroxydiclofenac is a metabolite of Diclofenac. 4-hydroxydiclofenac belongs to the family of Phenylacetic Acid Derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.

   

5-Hydroxydiclofenac

2-{2-[(2,6-dichlorophenyl)amino]-5-hydroxyphenyl}acetic acid

C14H11Cl2NO3 (311.0116)


5-Hydroxydiclofenac (5-OH-DCF) is a metabolite of Diclofenac. Diclofenac (cf. INN with trade names) is a nonsteroidal anti-inflammatory drug (NSAID) taken to reduce inflammation and as an analgesic reducing pain in certain conditions. (Wikipedia)

   

4-Hydroxybenzyl isothiocyanate rhamnoside

2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxane-3,4,5-triol

C14H17NO5S (311.0827)


4-Hydroxybenzyl isothiocyanate rhamnoside is found in herbs and spices. 4-Hydroxybenzyl isothiocyanate rhamnoside is a constituent of seeds and other parts of Moringa oleifera (horseradish tree), Moringa peregrina and Moringa stenopetala. Constituent of seeds and other parts of Moringa oleifera (horseradish tree), Moringa peregrina and Moringa stenopetala. 4-Hydroxybenzyl isothiocyanate rhamnoside is found in herbs and spices. Moringin is a potent and selective TRPA1 ion channel natural agonist with an EC50 of 3.14 μM. Moringin does not activate or activates very weakly the vanilloids somatosensory channels TRPV1, TRPV2, TRPV3 and TRPV4, and the melastatin cooling receptor TRPM8. Moringin has hypoglycemic, antimicrobial, anti-inflammatory, anticancer and neuroprotection activities[1][2].

   

Furoparadine

5,9-dihydroxy-10-methoxy-11-methyl-6H,11H-furo[2,3-c]acridin-6-one

C17H13NO5 (311.0794)


Furoparadine is found in citrus. Furoparadine is an alkaloid from roots of Citrus paradisi (grapefruit). Alkaloid from roots of Citrus paradisi (grapefruit). Furoparadine is found in citrus.

   

3'-Hydroxydiclofenac

2-{2-[(2,6-dichloro-3-hydroxyphenyl)amino]phenyl}acetic acid

C14H11Cl2NO3 (311.0116)


3-Hydroxydiclofenac is only found in individuals that have used or taken Diclofenac. 3-Hydroxydiclofenac is a metabolite of Diclofenac. 3-hydroxydiclofenac belongs to the family of Phenylacetic Acid Derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.

   

(S)-5-[(4-Amino-4-carboxy-1-oxobutyl)amino]-2-nitrobenzoic acid

(S)-5-[(4-Amino-4-carboxy-1-oxobutyl)amino]-2-nitrobenzoic acid

C12H13N3O7 (311.0753)


   

Aristolochic acid B

9-nitro-14,16-dioxatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,8,10,12-heptaene-11-carboxylic acid

C16H9NO6 (311.043)


Aristolochic acid B is one of the major components of Aristolochic acids (AA) which are natural products derived from taxa in the Aristolochiaceae. Aristolochic acid is known to be a potent mutagen and carcinogen. Aristolochic acid B showes more carcinogenic risk than Aristolochic acid A in vivo[1]. Aristolochic acid B is one of the major components of Aristolochic acids (AA) which are natural products derived from taxa in the Aristolochiaceae. Aristolochic acid is known to be a potent mutagen and carcinogen. Aristolochic acid B showes more carcinogenic risk than Aristolochic acid A in vivo[1].

   

Fexinidazole Sulfone

2-[(4-methanesulfonylphenoxy)methyl]-1-methyl-5-nitro-1H-imidazole

C12H13N3O5S (311.0576)


   

Lodoxamide

{[3-(carboxyformamido)-2-chloro-5-cyanophenyl]carbamoyl}formic acid

C11H6ClN3O6 (310.9945)


C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C29714 - Mast Cell Stabilizer S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics D018926 - Anti-Allergic Agents Lodoxamide (U-42585E free acid) is an antiallergic compound acting as a mast-cell stabilizer for the treatment of asthma and allergic conjunctivitis.

   

Aristolactam E

Aristolactam E

C17H13NO5 (311.0794)


   

1-Methoxy-2,9-dihydroxy-3-(hydroxymethyl)dibenzo[cd,f]indole-4(5H)-one

1-Methoxy-2,9-dihydroxy-3-(hydroxymethyl)dibenzo[cd,f]indole-4(5H)-one

C17H13NO5 (311.0794)


   

Prothioconazole-desthio

2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol

C14H15Cl2N3O (311.0592)


CONFIDENCE standard compound; INTERNAL_ID 2581 CONFIDENCE standard compound; INTERNAL_ID 8437 CONFIDENCE standard compound; INTERNAL_ID 4061 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3176

   

2-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-(2-furyl)-6-(methylthio)pyrimidine-5-carbonitrile

2-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-(2-furyl)-6-(methylthio)pyrimidine-5-carbonitrile

C15H13N5OS (311.0841)


   

2-(1,3-Dithiepan-2-yliden)-2-(phenylsulfonyl)acetonitrile

2-(1,3-Dithiepan-2-yliden)-2-(phenylsulfonyl)acetonitrile

C13H13NO2S3 (311.0108)


   

Maybridge3_007279

Maybridge3_007279

C13H8F3N3OS (311.034)


   

Maybridge3_007011

Maybridge3_007011

C15H12F3NO3 (311.0769)


   
   

Maybridge3_004680

Maybridge3_004680

C17H13NO5 (311.0794)


   
   

aristolochic acid B

Aristolochic acid II

C16H9NO6 (311.043)


Annotation level-1 Aristolochic acid B is one of the major components of Aristolochic acids (AA) which are natural products derived from taxa in the Aristolochiaceae. Aristolochic acid is known to be a potent mutagen and carcinogen. Aristolochic acid B showes more carcinogenic risk than Aristolochic acid A in vivo[1]. Aristolochic acid B is one of the major components of Aristolochic acids (AA) which are natural products derived from taxa in the Aristolochiaceae. Aristolochic acid is known to be a potent mutagen and carcinogen. Aristolochic acid B showes more carcinogenic risk than Aristolochic acid A in vivo[1].

   

2-[[2,6-DICHLORO-3-(HYDROXYMETHYL)PHENYL]AMINO]BENZOIC ACID

2-[[2,6-DICHLORO-3-(HYDROXYMETHYL)PHENYL]AMINO]BENZOIC ACID

C14H11Cl2NO3 (311.0116)


   

3,5-dihydroxy-2,4-dimethoxyaristolactam

3,5-dihydroxy-2,4-dimethoxyaristolactam

C17H13NO5 (311.0794)


   
   

9(10H)-Acridinone, 1,3-bis(acetyloxy)-

9(10H)-Acridinone, 1,3-bis(acetyloxy)-

C17H13NO5 (311.0794)


   
   

Moringin

(2S,3R,4R,5R,6S)-2-(4-(Isothiocyanatomethyl)phenoxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol

C14H17NO5S (311.0827)


alpha-L-Mannopyranoside, 4-(isothiocyanatomethyl)phenyl 6-deoxy- is a natural product found in Moringa oleifera with data available. Moringin is a potent and selective TRPA1 ion channel natural agonist with an EC50 of 3.14 μM. Moringin does not activate or activates very weakly the vanilloids somatosensory channels TRPV1, TRPV2, TRPV3 and TRPV4, and the melastatin cooling receptor TRPM8. Moringin has hypoglycemic, antimicrobial, anti-inflammatory, anticancer and neuroprotection activities[1][2].

   

4-Hydroxydiclofenac

4`-Hydroxy Diclofenac

C14H11Cl2NO3 (311.0116)


A monocarboxylic acid that is the 4-hydroxylated metabolite of diclofenac. CONFIDENCE standard compound; EAWAG_UCHEM_ID 3397

   

5-Hydroxydiclofenac

5-Hydroxy diclofenac

C14H11Cl2NO3 (311.0116)


A monocarboxylic acid that is the 5-hydroxylated metabolite of diclofenac. CONFIDENCE standard compound; EAWAG_UCHEM_ID 3403

   

9,10-Dimethoxy-6aH-benzo[4,5][1,3]oxazino[2,3-a]isoindole-5,11-dione

"NCGC00160281-01!9,10-Dimethoxy-6aH-benzo[4,5][1,3]oxazino[2,3-a]isoindole-5,11-dione"

C17H13NO5 (311.0794)


   
   

Lodoxamide

Lodoxamide

C11H6ClN3O6 (310.9945)


C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C29714 - Mast Cell Stabilizer S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics D018926 - Anti-Allergic Agents Lodoxamide (U-42585E free acid) is an antiallergic compound acting as a mast-cell stabilizer for the treatment of asthma and allergic conjunctivitis.

   
   
   

Asn-Ala-OH

(S)-2-(3-(2-amino-2-oxoethoxy)-4-nitrobenzamido)propanoic acid

C12H13N3O7 (311.0753)


   

Ala-Asn-OH

(S)-5-amino-2-(3-methoxy-4-nitrobenzamido)-5-oxopentanoic acid

C12H13N3O7 (311.0753)


   

3-OH DCF

2-{2-[(2,6-dichloro-3-hydroxyphenyl)amino]phenyl}acetic acid

C14H11Cl2NO3 (311.0116)


   

4-Hydroxybenzyl isothiocyanate rhamnoside

2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxane-3,4,5-triol

C14H17NO5S (311.0827)


Moringin is a potent and selective TRPA1 ion channel natural agonist with an EC50 of 3.14 μM. Moringin does not activate or activates very weakly the vanilloids somatosensory channels TRPV1, TRPV2, TRPV3 and TRPV4, and the melastatin cooling receptor TRPM8. Moringin has hypoglycemic, antimicrobial, anti-inflammatory, anticancer and neuroprotection activities[1][2].

   

Furoparadine

5,9-dihydroxy-10-methoxy-11-methyl-6H,11H-furo[2,3-c]acridin-6-one

C17H13NO5 (311.0794)


   

tert-butyl 7-bromo-3-hydroxyindole-1-carboxylate

tert-butyl 7-bromo-3-hydroxyindole-1-carboxylate

C13H14BrNO3 (311.0157)


   

tert-Butyl 7-bromo-3,4-dihydroquinoline-1(2H)-carboxylate

tert-Butyl 7-bromo-3,4-dihydroquinoline-1(2H)-carboxylate

C14H18BrNO2 (311.0521)


   

8-(4-Bromobenzyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(4-Bromobenzyl)-1,4-dioxa-8-azaspiro[4.5]decane

C14H18BrNO2 (311.0521)


   

4-anisidine-2-ss-hydroxyethyl sulfone sulfate ester

4-anisidine-2-ss-hydroxyethyl sulfone sulfate ester

C9H13NO7S2 (311.0133)


   

N-Boc-4-iodopiperidine

N-Boc-4-iodopiperidine

C10H18INO2 (311.0382)


   

3-bromo-4-(4,4-dimethylpiperidin-1-yl)benzoic acid

3-bromo-4-(4,4-dimethylpiperidin-1-yl)benzoic acid

C14H18BrNO2 (311.0521)


   

ethyl 3-bromo-4-(2-methylpyrrolidin-1-yl)benzoate

ethyl 3-bromo-4-(2-methylpyrrolidin-1-yl)benzoate

C14H18BrNO2 (311.0521)


   

3-bromo-4-[(2-methylpiperidin-1-yl)methyl]benzoic acid

3-bromo-4-[(2-methylpiperidin-1-yl)methyl]benzoic acid

C14H18BrNO2 (311.0521)


   

3-bromo-4-[(3-methylpiperidin-1-yl)methyl]benzoic acid

3-bromo-4-[(3-methylpiperidin-1-yl)methyl]benzoic acid

C14H18BrNO2 (311.0521)


   

2-(4-bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

2-(4-bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

C11H11BBrNO4 (310.9964)


   

2-(3-bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

2-(3-bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

C11H11BBrNO4 (310.9964)


   

2-[(4-amino-3-methoxyphenyl)sulphonyl]ethyl hydrogen sulphate

2-[(4-amino-3-methoxyphenyl)sulphonyl]ethyl hydrogen sulphate

C9H13NO7S2 (311.0133)


   

N-allyl-2,2-dichloro-N-[3-(trifluoromethyl)phenyl]acetamide

N-allyl-2,2-dichloro-N-[3-(trifluoromethyl)phenyl]acetamide

C12H10Cl2F3NO (311.0092)


   
   

TERT-BUTYL 3-(BROMOMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-1-CARBOXYLATE

TERT-BUTYL 3-(BROMOMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-1-CARBOXYLATE

C12H14BrN3O2 (311.0269)


   

n-bsmoc-l-alanine

n-bsmoc-l-alanine

C13H13NO6S (311.0464)


   

benzyl 4-bromo-3-oxopiperidine-1-carboxylate

benzyl 4-bromo-3-oxopiperidine-1-carboxylate

C13H14BrNO3 (311.0157)


   

Benzyl 3-bromo-4-oxopiperidine-1-carboxylate

Benzyl 3-bromo-4-oxopiperidine-1-carboxylate

C13H14BrNO3 (311.0157)


   

N-Cyclohexyl 4-bromo-3-methoxybenzamide

N-Cyclohexyl 4-bromo-3-methoxybenzamide

C14H18BrNO2 (311.0521)


   

3(R)-Iodomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester

3(R)-Iodomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester

C10H18INO2 (311.0382)


   

(4S)-4-benzyl-3-(2-bromopropanoyl)oxazolidin-2-one

(4S)-4-benzyl-3-(2-bromopropanoyl)oxazolidin-2-one

C13H14BrNO3 (311.0157)


   

2-(2-Bromophenyl)-6-methyl-1,3,6,2-dioxazaboracane-4,8-dione

2-(2-Bromophenyl)-6-methyl-1,3,6,2-dioxazaboracane-4,8-dione

C11H11BBrNO4 (310.9964)


   

4-bromo-N-cyclohexyl-2-methoxybenzamide

4-bromo-N-cyclohexyl-2-methoxybenzamide

C14H18BrNO2 (311.0521)


   

(S)-6-Chloro-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazin-4-ol 1,1-dioxide

(S)-6-Chloro-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazin-4-ol 1,1-dioxide

C10H14ClNO4S2 (311.0053)


   
   

3(S)-IODOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

3(S)-IODOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

C10H18INO2 (311.0382)


   

4-Chloro-2-(N-phenylsulfamoyl)benzoic acid

4-Chloro-2-(N-phenylsulfamoyl)benzoic acid

C13H10ClNO4S (311.0019)


   

5-Chloro-3-hydroxy-2-methyl-2-naphthanilide

5-Chloro-3-hydroxy-2-methyl-2-naphthanilide

C18H14ClNO2 (311.0713)


   

2-Anisidine-4-?-hydroxyethylsulfonesulfateester

2-Anisidine-4-?-hydroxyethylsulfonesulfateester

C9H13NO7S2 (311.0133)


   

Benzenesulfonamide,N,N-bis(2-chloroethyl)-4-methoxy-

Benzenesulfonamide,N,N-bis(2-chloroethyl)-4-methoxy-

C11H15Cl2NO3S (311.015)


   

tert-Butyl (1-(4-bromophenyl)cyclopropyl)carbamate

tert-Butyl (1-(4-bromophenyl)cyclopropyl)carbamate

C14H18BrNO2 (311.0521)


   

2,3-NAPHTHALENEDIOL, 5,6,7,8-TETRAHYDRO-6-(METHYL-2-PROPYNYLAMINO)-, HYDROBROMIDE

2,3-NAPHTHALENEDIOL, 5,6,7,8-TETRAHYDRO-6-(METHYL-2-PROPYNYLAMINO)-, HYDROBROMIDE

C14H18BrNO2 (311.0521)


   

1,3-DiMethyl 2-[4-(Methoxycarbonyl)-2-nitrophenyl]propanedioate

1,3-DiMethyl 2-[4-(Methoxycarbonyl)-2-nitrophenyl]propanedioate

C13H13NO8 (311.0641)


   

Geranyl pyrophosphate

Geranyl pyrophosphate

C10H17O7P2--- (311.0449)


   

Vanadium, oxobis(2-​pyridinecarboxylato-​κN1,​κO2)​

Vanadium, oxobis(2-​pyridinecarboxylato-​κN1,​κO2)​

C12H8N2O5V (310.9873)


   

tert-Butyl 3-iodopiperidine-1-carboxylate

tert-Butyl 3-iodopiperidine-1-carboxylate

C10H18INO2 (311.0382)


   

ethyl 6-amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylate

ethyl 6-amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylate

C13H11Cl2N3O2 (311.0228)


   

TERT-BUTYL 5-BROMO-3-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-1-CARBOXYLATE

TERT-BUTYL 5-BROMO-3-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-1-CARBOXYLATE

C12H14BrN3O2 (311.0269)


   

3-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde

3-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde

C14H8F3NO4 (311.0405)


   

tert-Butyl 2-(iodomethyl)-1-pyrrolidinecarboxylate

tert-Butyl 2-(iodomethyl)-1-pyrrolidinecarboxylate

C10H18INO2 (311.0382)


   

N1-(4-[(3,5-DIOXOPIPERAZINO)SULFONYL]PHENYL)ACETAMIDE

N1-(4-[(3,5-DIOXOPIPERAZINO)SULFONYL]PHENYL)ACETAMIDE

C12H13N3O5S (311.0576)


   

9-Methoxy-1,3-dimethyl-12-thioxopyrido[1,2:3,4]imidazo[1,2-a]benzimidazol-2(12H)-one

9-Methoxy-1,3-dimethyl-12-thioxopyrido[1,2:3,4]imidazo[1,2-a]benzimidazol-2(12H)-one

C16H13N3O2S (311.0728)


   

Benzyl 4-(bromomethyl)-1-piperidinecarboxylate

Benzyl 4-(bromomethyl)-1-piperidinecarboxylate

C14H18BrNO2 (311.0521)


   

2-bromo-4,6-diphenyl-1,3,5-triazine

2-bromo-4,6-diphenyl-1,3,5-triazine

C15H10BrN3 (311.0058)


   

5-BUTYRYLAMINONAPHTHALENE-1-SULFONYLCHLORIDE

5-BUTYRYLAMINONAPHTHALENE-1-SULFONYLCHLORIDE

C14H14ClNO3S (311.0383)


   

4-Piperidinecarboxylic acid, 1-(4-bromobenzoyl)-

4-Piperidinecarboxylic acid, 1-(4-bromobenzoyl)-

C13H14BrNO3 (311.0157)


   

tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate

tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate

C14H18BrNO2 (311.0521)


   

Flutiazin

Flutiazin

C14H8F3NO2S (311.0228)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic

   

TERT-BUTYL 5-BROMO-1-OXOISOINDOLINE-2-CARBOXYLATE

TERT-BUTYL 5-BROMO-1-OXOISOINDOLINE-2-CARBOXYLATE

C13H14BrNO3 (311.0157)


   

1,2-NAPHTHALENEDIOL, 5,6,7,8-TETRAHYDRO-6-(METHYL-2-PROPYNYLAMINO)-, HYDROBROMIDE

1,2-NAPHTHALENEDIOL, 5,6,7,8-TETRAHYDRO-6-(METHYL-2-PROPYNYLAMINO)-, HYDROBROMIDE

C14H18BrNO2 (311.0521)


   

3-(3-CHLOROPHENYLSULFONAMIDO)BENZOIC ACID

3-(3-CHLOROPHENYLSULFONAMIDO)BENZOIC ACID

C13H10ClNO4S (311.0019)


   

3-(2-Formyl-4-nitrophenoxy)benzotrifluoride, 2-Formyl-4-nitro-3-(trifluoromethyl)diphenyl ether

3-(2-Formyl-4-nitrophenoxy)benzotrifluoride, 2-Formyl-4-nitro-3-(trifluoromethyl)diphenyl ether

C14H8F3NO4 (311.0405)


   

t-Butyl-3-bromo methylindole-1-carboxylate

t-Butyl-3-bromo methylindole-1-carboxylate

C14H18BrNO2 (311.0521)


   
   

Tert-butyl 8-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate

Tert-butyl 8-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate

C14H18BrNO2 (311.0521)


   

1-Naphthalenamine,N,N-bis(2-chloroethyl)-4-methoxy-3-methyl-

1-Naphthalenamine,N,N-bis(2-chloroethyl)-4-methoxy-3-methyl-

C16H19Cl2NO (311.0844)


   
   

METHYL 5-CYCLOPROPYL-3-(2,6-DICHLOROPHENYL)ISOXAZOLE-4-CARBOXYLATE

METHYL 5-CYCLOPROPYL-3-(2,6-DICHLOROPHENYL)ISOXAZOLE-4-CARBOXYLATE

C14H11Cl2NO3 (311.0116)


   
   

METHYL 3-{[(4-METHYLPHENYL)SULFONYL]AMINO}-2-THIOPHENECARBOXYLATE

METHYL 3-{[(4-METHYLPHENYL)SULFONYL]AMINO}-2-THIOPHENECARBOXYLATE

C13H13NO4S2 (311.0286)


   

PNU-120596

1-(5-Chloro-2,4-dimethoxyphenyl)-3-(5-methylisoxazol-3-yl)urea

C13H14ClN3O4 (311.0673)


PNU-120596 (NSC 216666) is a potent and selective α7 nAChR positive allosteric modulator (PMA) with an EC50 of 216 nM. PNU-120596 is inactive against α4β2, α3β4, and α9α10 nAChRs. PNU-120596 has the potential for psychiatric and neurological disorders research[1].

   

4-Chloro-3-hydroxy-2-methyl-2-naphthanilide

4-Chloro-3-hydroxy-2-methyl-2-naphthanilide

C18H14ClNO2 (311.0713)


   

1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid ethyl ester

1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid ethyl ester

C15H12F3NO3 (311.0769)


   

2-(5-bromo-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid

2-(5-bromo-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid

C13H11BrFNO2 (310.9957)


   

tert-butyl 6-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate

tert-butyl 6-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate

C14H18BrNO2 (311.0521)


   

tert-Butyl-3-(iodmethyl)pyrrolidin-1-carboxylat

tert-Butyl-3-(iodmethyl)pyrrolidin-1-carboxylat

C10H18INO2 (311.0382)


   

3-(2-CHLOROBENZYLIDENE)-3H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER

3-(2-CHLOROBENZYLIDENE)-3H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER

C18H14ClNO2 (311.0713)


   

5-[3-fluoroanilino(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[3-fluoroanilino(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione

C14H14FNO4S (311.0628)


   

4-(2,3-Dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3-pyridinecarboxylic acid methyl ester

4-(2,3-Dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3-pyridinecarboxylic acid methyl ester

C15H15Cl2NO2 (311.048)


   

Benzenepropanoic acid,-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-,(aR)-

Benzenepropanoic acid,-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-,(aR)-

C17H13NO5 (311.0794)


   

methyl 1,4-dihydroxy-7-phenoxyisoquinoline-3-carboxylate

methyl 1,4-dihydroxy-7-phenoxyisoquinoline-3-carboxylate

C17H13NO5 (311.0794)


   

8-Methoxy-1,3-dimethyl-12-thioxopyrido[1,2:3,4]imidazo[1,2-a]benzimidazol-2(12H)-one

8-Methoxy-1,3-dimethyl-12-thioxopyrido[1,2:3,4]imidazo[1,2-a]benzimidazol-2(12H)-one

C16H13N3O2S (311.0728)


   

Ethyl 6,7-difluoro-1-methyl-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

Ethyl 6,7-difluoro-1-methyl-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

C14H11F2NO3S (311.0428)


   

dimethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanedioate

dimethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanedioate

C11H9ClF3NO4 (311.0172)


   

(tert-Butylimido)osmium trioxide

(tert-Butylimido)osmium trioxide

C4H9NO3Os (311.0188)


   

TERT-BUTYL 5-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE

TERT-BUTYL 5-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE

C14H18BrNO2 (311.0521)


   
   

3-Amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide

3-Amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide

C13H14ClN3O2S (311.0495)


   

2-(4-Nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-7-ol

2-(4-Nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-7-ol

C15H9N3O3S (311.0365)


   

2-amino-4-chloro-N-(2-methylquinolin-6-yl)benzamide

2-amino-4-chloro-N-(2-methylquinolin-6-yl)benzamide

C17H14ClN3O (311.0825)


   

dimethylsilyl (t-butylamido)(cyclopentadienyl) titanium dichloride

dimethylsilyl (t-butylamido)(cyclopentadienyl) titanium dichloride

C11H19Cl2NSiTi (311.0143)


   

4-Brom-2,2:6,2-terpyridin

4-Brom-2,2:6,2-terpyridin

C15H10BrN3 (311.0058)


   

(4-(N-(3-CHLOROPHENYL)SULFAMOYL)PHENYL)BORONIC ACID

(4-(N-(3-CHLOROPHENYL)SULFAMOYL)PHENYL)BORONIC ACID

C12H11BClNO4S (311.019)


   

ethyl 5-bromo-2-piperidin-1-ylbenzoate

ethyl 5-bromo-2-piperidin-1-ylbenzoate

C14H18BrNO2 (311.0521)


   

methyl 5-bromo-2-(piperidin-1-ylmethyl)benzoate

methyl 5-bromo-2-(piperidin-1-ylmethyl)benzoate

C14H18BrNO2 (311.0521)


   

2-Thiophenesulfonamide, 5-chloro-N-((1S)-2-ethyl-1-(hydroxymethyl)butyl)-

2-Thiophenesulfonamide, 5-chloro-N-((1S)-2-ethyl-1-(hydroxymethyl)butyl)-

C11H18ClNO3S2 (311.0417)


   

Cytosine, 1-(beta-D-arabinofuranosyl)-thio-

Cytosine, 1-(beta-D-arabinofuranosyl)-thio-

C9H14ClN3O5S (311.0343)


   

Glutamylselenomethylselenocysteine

Glutamylselenomethylselenocysteine

C9H15N2O5Se- (311.0146)


   

2-(1,3-Dioxoisoindol-2-yl)-3-(4-hydroxyphenyl)propanoic acid

2-(1,3-Dioxoisoindol-2-yl)-3-(4-hydroxyphenyl)propanoic acid

C17H13NO5 (311.0794)


   

N-(4-hydroxy-3,5-dimethylphenyl)-2,5-dimethyl-3-thiophenesulfonamide

N-(4-hydroxy-3,5-dimethylphenyl)-2,5-dimethyl-3-thiophenesulfonamide

C14H17NO3S2 (311.065)


   

2-(2,4-dichlorophenoxy)-N-(1H-pyrrol-2-ylmethylene)acetohydrazide

2-(2,4-dichlorophenoxy)-N-(1H-pyrrol-2-ylmethylene)acetohydrazide

C13H11Cl2N3O2 (311.0228)


   

N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)benzenesulfonamide

N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)benzenesulfonamide

C14H14ClNO3S (311.0383)


   

2-Benzyl-5-(4-bromophenyl)-1H-pyrrole

2-Benzyl-5-(4-bromophenyl)-1H-pyrrole

C17H14BrN (311.031)


   

2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid methyl ester

2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid methyl ester

C10H8F3NO5S (311.0075)


   

(3s)-1-{[4-(But-2-Yn-1-Yloxy)phenyl]sulfonyl}pyrrolidine-3-Thiol

(3s)-1-{[4-(But-2-Yn-1-Yloxy)phenyl]sulfonyl}pyrrolidine-3-Thiol

C14H17NO3S2 (311.065)


   

1-[(2s)-4-(5-Bromo-1h-Pyrazolo[3,4-B]pyridin-4-Yl)morpholin-2-Yl]methanamine

1-[(2s)-4-(5-Bromo-1h-Pyrazolo[3,4-B]pyridin-4-Yl)morpholin-2-Yl]methanamine

C11H14BrN5O (311.0382)


   

2-(beta-D-Glucopyranosyl)-5-methyl-1,3,4-benzothiazole

2-(beta-D-Glucopyranosyl)-5-methyl-1,3,4-benzothiazole

C14H17NO5S (311.0827)


   

3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine

3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine

C14H10ClN7 (311.0686)


   

Geranyl diphosphate(3-)

Geranyl diphosphate(3-)

C10H17O7P2-3 (311.0449)


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Neryl pyrophosphate

Neryl pyrophosphate

C10H17O7P2-3 (311.0449)


   

(R,R)-chrysanthemyl diphosphate(3-)

(R,R)-chrysanthemyl diphosphate(3-)

C10H17O7P2-3 (311.0449)


   

(-)-Bornyl-diphosphate

(-)-Bornyl-diphosphate

C10H17O7P2-3 (311.0449)


   

Lavandulyl diphosphate(3-)

Lavandulyl diphosphate(3-)

C10H17O7P2-3 (311.0449)


   

(-)-(3R)-linalyl diphosphate

(-)-(3R)-linalyl diphosphate

C10H17O7P2-3 (311.0449)


   

(+)-(3S)-linalyl diphosphate

(+)-(3S)-linalyl diphosphate

C10H17O7P2-3 (311.0449)


   

[5-(4,5-diamino-1H-imidazol-3-ium-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

[5-(4,5-diamino-1H-imidazol-3-ium-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

C8H16N4O7P+ (311.0757)


   

2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide

2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide

C16H13N3O2S (311.0728)


   

1-Benzo[b]thiophen-2-ylmethyl-5-fluoro-1H-indole-2,3-dione

1-Benzo[b]thiophen-2-ylmethyl-5-fluoro-1H-indole-2,3-dione

C17H10FNO2S (311.0416)


   

4-Hydroxybenzoic acid (2-phenyl-4-thiazolyl)methyl ester

4-Hydroxybenzoic acid (2-phenyl-4-thiazolyl)methyl ester

C17H13NO3S (311.0616)


   

1-(6-Methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]thiourea

1-(6-Methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]thiourea

C14H12F3N3S (311.0704)


   

6-chloro-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1H-quinazolin-4-one

6-chloro-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1H-quinazolin-4-one

C14H18ClN3OS (311.0859)


   

2-(2-Furanyl)-4-mercapto-3-(4-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile

2-(2-Furanyl)-4-mercapto-3-(4-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile

C16H13N3O2S (311.0728)


   

N-(3,4-dichlorophenyl)-N-(3-pyridinylmethyl)thiourea

N-(3,4-dichlorophenyl)-N-(3-pyridinylmethyl)thiourea

C13H11Cl2N3S (311.0051)


   

8-Methylsulfinyl-4,5-dihydrothieno[3,4-g][2,1]benzoxazole-6-carboxylic acid ethyl ester

8-Methylsulfinyl-4,5-dihydrothieno[3,4-g][2,1]benzoxazole-6-carboxylic acid ethyl ester

C13H13NO4S2 (311.0286)


   

(-)-Bornyl diphosphate(3-)

(-)-Bornyl diphosphate(3-)

C10H17O7P2-3 (311.0449)


   

(+)-Bornyl diphosphate(3-)

(+)-Bornyl diphosphate(3-)

C10H17O7P2-3 (311.0449)


   

(R)-lavandulyl diphosphate(3-)

(R)-lavandulyl diphosphate(3-)

C10H17O7P2-3 (311.0449)


   

N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide

N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide

C15H13N5OS (311.0841)


   

5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile

5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile

C16H13N3O2S (311.0728)


   

2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]-3-pyrancarboxamide

2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]-3-pyrancarboxamide

C15H12F3NO3 (311.0769)


   

2-Methyl-5-(5-methyl-2-furanyl)-3-(1-pyrrolyl)-4-thieno[2,3-d]pyrimidinone

2-Methyl-5-(5-methyl-2-furanyl)-3-(1-pyrrolyl)-4-thieno[2,3-d]pyrimidinone

C16H13N3O2S (311.0728)


   

N-[(E)-1-(1,3-Benzodioxol-5-yl)ethylideneamino]-1,3-benzothiazol-2-amine

N-[(E)-1-(1,3-Benzodioxol-5-yl)ethylideneamino]-1,3-benzothiazol-2-amine

C16H13N3O2S (311.0728)


   

S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteinate

S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteinate

C13H15N2O5S- (311.0702)


An S-substituted N-acetyl-L-cysteine that is the conjugate base of S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   
   
   
   
   

[3,7-Dimethylocta-2,6-dienoxy(oxido)phosphoryl] phosphate

[3,7-Dimethylocta-2,6-dienoxy(oxido)phosphoryl] phosphate

C10H17O7P2-3 (311.0449)


   

9-chloro-3-(pyridin-4-ylmethyl)-5H-pyrimido[5,4-b]indol-1-ium-4-one

9-chloro-3-(pyridin-4-ylmethyl)-5H-pyrimido[5,4-b]indol-1-ium-4-one

C16H12ClN4O+ (311.07)


   

[Oxido-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphoryl] phosphate

[Oxido-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphoryl] phosphate

C10H17O7P2-3 (311.0449)


   

(6aR)-9,10-dimethoxy-6aH-isoindolo[2,3-a][3,1]benzoxazine-5,11-dione

(6aR)-9,10-dimethoxy-6aH-isoindolo[2,3-a][3,1]benzoxazine-5,11-dione

C17H13NO5 (311.0794)


   

Raiser

Fluorochloridone

C12H10Cl2F3NO (311.0092)


D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

   

Geranyl diphosphate(3-)

Geranyl diphosphate(3-)

C10H17O7P2 (311.0449)


Trianion of geranyl diphosphate arising from deprotonation of the three OH groups of the diphosphate; major species at pH 7.3.

   

3-Hydroxydiclofenac

3-Hydroxydiclofenac

C14H11Cl2NO3 (311.0116)


An organochlorine compound that is the 3-hydroxylated metabolite of diclofenac.

   

phosphatidylcholine (18:0/20:2)

phosphatidylcholine (18:0/20:2)

C10H18NO8P (311.077)


A 1,2-diacyl-sn-glycero-3-phosphocholine in which one acyl group has 18 carbons and is fully saturated while the other has 20 carbons and 2 double bonds.

   

aristolactam c ii; 9-hydroxy,o2-de-me

NA

C17H13NO5 (311.0794)


{"Ingredient_id": "HBIN016769","Ingredient_name": "aristolactam c ii; 9-hydroxy,o2-de-me","Alias": "NA","Ingredient_formula": "C17H13NO5","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6675","PubChem_id": "NA","DrugBank_id": "NA"}

   

aristoliukine a

NA

C17H13NO5 (311.0794)


{"Ingredient_id": "HBIN016795","Ingredient_name": "aristoliukine a","Alias": "NA","Ingredient_formula": "C17H13NO5","Ingredient_Smile": "COC1=C(C(=C2C3=C(C=C4C=CC(=CC4=C31)O)NC2=O)CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1711","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

13-(hydroxymethyl)-15-methoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-4,11,14-triol

13-(hydroxymethyl)-15-methoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-4,11,14-triol

C17H13NO5 (311.0794)


   

5,14-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-6,11,15-triol

5,14-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-6,11,15-triol

C17H13NO5 (311.0794)


   

13,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-3,11,14-triol

13,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-3,11,14-triol

C17H13NO5 (311.0794)