Exact Mass: 311.065

Exact Mass Matches: 311.065

Found 258 metabolites which its exact mass value is equals to given mass value 311.065, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Taxiphyllin

(2R)-2-(4-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile

C14H17NO7 (311.1005)


(R)-4-hydroxymandelonitrile beta-D-glucoside is a beta-D-glucoside consisting of (R)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. It is a beta-D-glucoside and a nitrile. It is functionally related to a (R)-prunasin. Taxiphyllin is a natural product found in Girgensohnia oppositiflora, Caroxylon tetrandrum, and other organisms with data available. Dhurrin is found in borage. Cyanogenic glucoside isolated from Sorghum vulgare (sorghum) Dhurrin is a cyanogenic glycoside occurring in plants. Its biosynthesis has been elucidated. Dhurrin is hydrolyzed in the stomach of an insect into a carbohydrate and aglycone. The aglycone is unstable and releases hydrogen cyanide Cyanogenic glucoside of Macadamia ternifolia. Taxiphyllin is found in many foods, some of which are naranjilla, bayberry, celeriac, and red beetroot.

   

p-Glucosyloxymandelonitrile

p-Glucosyloxymandelonitrile

C14H17NO7 (311.1005)


   

Zierin

Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-3-hydroxy-, (S)

C14H17NO7 (311.1005)


   

Sumiherb

(RS)-2-Bromo-N-(alpha,alpha-dimethylbenzyl)-3,3-dimethylbutyramide

C15H22BrNO (311.0885)


   

Icilin

3,6-dihydro-1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-2(1H)-pyrimidinone

C16H13N3O4 (311.0906)


D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D002120 - Calcium Channel Agonists D049990 - Membrane Transport Modulators > D062687 - Sodium Channel Agonists D000077264 - Calcium-Regulating Hormones and Agents

   

K-252c

6,7,12,13-Tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one

C20H13N3O (311.1059)


D004791 - Enzyme Inhibitors

   

S-[(Z)-N-hydroxy-2-phenylethanimidoyl]-L-cysteinylglycine

(Z)-1-(L-cysteinyglycin-S-yl)-N-hydroxy-2-phenylethan-1-imine

C13H17N3O4S (311.094)


   

Citalopram propionic acid

3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]propanoic acid

C18H14FNO3 (311.0958)


Citalopram propionic acid is a metabolite of citalopram. Citalopram is an antidepressant drug of the selective serotonin reuptake inhibitor (SSRI) class. It has U.S. Food and Drug Administration (FDA) approval to treat major depression, and is prescribed off-label for a number of anxiety conditions. (Wikipedia)

   

Dhurrin

(2S)-2-(4-hydroxyphenyl)-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile

C14H17NO7 (311.1005)


Dhurrin is a cyanogenic glycoside occurring in plants. Its biosynthesis has been elucidated. Dhurrin is hydrolyzed in the stomach of an insect into a carbohydrate and aglycone. The aglycone is unstable and releases hydrogen cyanide. (Wikipedia) In biosynthesis of the cyanogenic glucoside dhurrin in Sorghum bicolor, the UDP-glucosyltransferase UGT85B1 catalyzes the conversion of p-hydroxymandelonitrile into dhurrin. (PMID: 16169969) In Sorghum, the cyanogenic glucoside dhurrin is derived from l-tyrosine in a pathway involving the two cytochromes P450 (CYPs) CYP79A1 and CYP71E1, a glucosyltransferase (UGT85B1), and the redox partner NADPH-dependent cytochrome P450 reductase (CPR). (PMID: 21620426) Synthesis of the tyrosine derived cyanogenic glucoside dhurrin in Sorghum bicolor is catalyzed by two multifunctional, membrane bound cytochromes P450, CYP79A1 and CYP71E1, and a soluble UDPG-glucosyltransferase, UGT85B1. In the presence of CYP79A1 and CYP71E1, the localization of UGT85B1 shifted towards the surface of the ER membrane in the periphery of biosynthetic active cells, demonstrating in planta dhurrin metabolon formation. (PMID: 17706731)

   

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-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.

   

N-(1-Deoxy-1-fructosyl)methionine

(2S)-4-(Methylsulphanyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid

C11H21NO7S (311.1039)


Fructose aminoacids are naturally occurring compounds derived from D-fructose and L-aminoacids. They are amadori products resulting from sugar-aminoacid interactions in food products, especially cooked foods [CCD] N-(1-Deoxy-1-fructosyl)methionine is classified as a Natural Food Constituent (code WA) in the DFC.

   

3,5-Bis(2-fluorobenzylidene)-4-piperidone

3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one

C19H15F2NO (311.1122)


   

(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].

   

4-(N,N-Dimethylsulfamoyl)-7-piperazino-benzofurazan

4-(N,N-Dimethylaminosulphonyl)-7-(1-piperazinyl)-2,1,3-benzoxadiazole

C12H17N5O3S (311.1052)


   

Etamicastat

5-(2-aminoethyl)-1-(6,8-difluoro-3,4-dihydro-2H-1-benzopyran-3-yl)-2,3-dihydro-1H-imidazole-2-thione

C14H15F2N3OS (311.0904)


   

Fexinidazole Sulfone

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

C12H13N3O5S (311.0576)


   

Metamizol

[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonic acid

C13H17N3O4S (311.094)


D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D058633 - Antipyretics

   

6,7,12,13-Tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one

3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1,4(9),5,7,10,15,17,19,21-nonaen-12-one

C20H13N3O (311.1059)


D004791 - Enzyme Inhibitors

   

Zierin

2-(3-hydroxyphenyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile

C14H17NO7 (311.1005)


Zierin is a member of the class of compounds known as cyanogenic glycosides. Cyanogenic glycosides are glycosides in which the aglycone moiety contains a cyanide group. Zierin is soluble (in water) and a very weakly acidic compound (based on its pKa). Zierin can be found in black elderberry, which makes zierin a potential biomarker for the consumption of this food product.

   

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)


   

3-(benzylamino)-5-(4-chlorophenyl)cyclohex-2-en-1-one

3-(benzylamino)-5-(4-chlorophenyl)cyclohex-2-en-1-one

C19H18ClNO (311.1077)


   

Maybridge3_007279

Maybridge3_007279

C13H8F3N3OS (311.034)


   

2-Methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzohydrazide

2-Methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzohydrazide

C14H12F3N3O2 (311.0882)


   

Maybridge3_007011

Maybridge3_007011

C15H12F3NO3 (311.0769)


   
   

Maybridge3_004680

Maybridge3_004680

C17H13NO5 (311.0794)


   

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

C14H17NO7 (311.1005)


   
   

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].

   

prodeoxyviolacein

prodeoxyviolacein

C20H13N3O (311.1059)


   
   
   

(3,4-dihydroxyphenyl)acetonitrile 3-O-beta-D-glucopyranoside|hydranitriloside A1|[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]acetonitrile

(3,4-dihydroxyphenyl)acetonitrile 3-O-beta-D-glucopyranoside|hydranitriloside A1|[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]acetonitrile

C14H17NO7 (311.1005)


   

3,5-dihydroxy-2,4-dimethoxyaristolactam

3,5-dihydroxy-2,4-dimethoxyaristolactam

C17H13NO5 (311.0794)


   

dioxindole-beta-D-glucoside

dioxindole-beta-D-glucoside

C14H17NO7 (311.1005)


   

Di-Et dithioacetal,5,6-O-isopropylidene-D-2-Amino-2-deoxyglucose

Di-Et dithioacetal,5,6-O-isopropylidene-D-2-Amino-2-deoxyglucose

C11H21NO5S2 (311.0861)


   
   

5-deoxy-5-(ethylthio)adenosine|5-deoxy-5-ethylthioadenosine|5-Ethylthio-5-deoxyadenosin|5-Thioethyladenosin|Ethyl--sulfid|S-Aethyl-5-thio-adenosin|S-ethyl-5-thio-adenosine

5-deoxy-5-(ethylthio)adenosine|5-deoxy-5-ethylthioadenosine|5-Ethylthio-5-deoxyadenosin|5-Thioethyladenosin|Ethyl--sulfid|S-Aethyl-5-thio-adenosin|S-ethyl-5-thio-adenosine

C12H17N5O3S (311.1052)


   
   

5-Cyano-6-methoxyindolo[2, 3-a]carbazole

5-Cyano-6-methoxyindolo[2, 3-a]carbazole

C20H13N3O (311.1059)


   
   

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].

   

fenamidone

Pesticide5_Fenamidone_C17H17N3OS_(S)-1-Anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one

C17H17N3OS (311.1092)


D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins D016573 - Agrochemicals CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1015 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3056

   

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)


   
   

Ehretioside B_major

Ehretioside B_major

C14H17NO7 (311.1005)


   

Ehretioside B

Ehretioside B

C14H17NO7 (311.1005)


   
   
   

PC(3:1/0:0)[U]

3,5,9-Trioxa-4-phosphadodec-11-en-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide

C11H22NO7P (311.1134)


   

PC(0:0/3:1)

3,5,8-Trioxa-4-phosphaundec-10-en-1-aminium, 4-hydroxy-7-(hydroxymethyl)-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide

C11H22NO7P (311.1134)


   
   

Asn-Ala-OH

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

C12H13N3O7 (311.0753)


   

Lys-Gly-OH

2-(3-(4-aminobutoxy)-4-nitrobenzamido)acetic acid

C13H17N3O6 (311.1117)


   

Gly-Lys-OH

(S)-7-amino-2-(3-hydroxy-4-nitrobenzamido)heptanoic acid

C13H17N3O6 (311.1117)


   

Ala-Asn-OH

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

C12H13N3O7 (311.0753)


   

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)


   

LPC 3:1

2-(2E-propionyl)-sn-glycero-3-phosphocholine

C11H22NO7P (311.1134)


   

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)


   

N-Boc-4-iodopiperidine

N-Boc-4-iodopiperidine

C10H18INO2 (311.0382)


   

(R)-4-AMINO-3-HYDROXYBUTANOICACID

(R)-4-AMINO-3-HYDROXYBUTANOICACID

C12H17N5O3S (311.1052)


   

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)


   
   

n-(3-chloro-2-methyl-phenyl)-2-(tetrahydro-furan-2-yl)-succinamic acid

n-(3-chloro-2-methyl-phenyl)-2-(tetrahydro-furan-2-yl)-succinamic acid

C15H18ClNO4 (311.0924)


   
   

4,5,6-triethoxy-7-nitrophthalide

4,5,6-triethoxy-7-nitrophthalide

C14H17NO7 (311.1005)


   

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)


   

2-BOC-6-CHLORO-3,4-DIHYDRO-1H-ISOQUINOLINE-1-CARBOXYLIC ACID

2-BOC-6-CHLORO-3,4-DIHYDRO-1H-ISOQUINOLINE-1-CARBOXYLIC ACID

C15H18ClNO4 (311.0924)


   

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)


   

Diethyl 2-(((3-chloro-4-methylphenyl)amino)methylene)malonate

Diethyl 2-(((3-chloro-4-methylphenyl)amino)methylene)malonate

C15H18ClNO4 (311.0924)


   

ETHYL 6-CHLORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PICOLINATE

ETHYL 6-CHLORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PICOLINATE

C14H19BClNO4 (311.1096)


   

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)


   

4-bromo-N-cyclohexyl-2-methoxybenzamide

4-bromo-N-cyclohexyl-2-methoxybenzamide

C14H18BrNO2 (311.0521)


   
   

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

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

C10H18INO2 (311.0382)


   

Acetic acid, [[(1,1-dimethylethoxy)carbonyl]amino](dimethoxyphosphinyl)-, ethyl ester

Acetic acid, [[(1,1-dimethylethoxy)carbonyl]amino](dimethoxyphosphinyl)-, ethyl ester

C11H22NO7P (311.1134)


   

nitromethaqualone

nitromethaqualone

C16H13N3O4 (311.0906)


   

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

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

C18H14ClNO2 (311.0713)


   

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)


   

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)


   

s4-(2-cyanoethyl)-4-thiothymidine

s4-(2-cyanoethyl)-4-thiothymidine

C13H17N3O4S (311.094)


   

4-(N-[2,4-DIAMINO-6-PTERIDINYLMETHYL]-AMINO)BENZOIC ACID SODIUM SALT

4-(N-[2,4-DIAMINO-6-PTERIDINYLMETHYL]-AMINO)BENZOIC ACID SODIUM SALT

C14H13N7O2 (311.1131)


   

(4-(2-(1,3-Dioxoisoindolin-2-yl)ethoxy)phenyl)boronic acid

(4-(2-(1,3-Dioxoisoindolin-2-yl)ethoxy)phenyl)boronic acid

C16H14BNO5 (311.0965)


   
   

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)


   

3-(3-METHOXYBENZAMIDO)FURO[2,3-B]PYRIDINE-2-CARBOXAMIDE

3-(3-METHOXYBENZAMIDO)FURO[2,3-B]PYRIDINE-2-CARBOXAMIDE

C16H13N3O4 (311.0906)


   

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)


   

7-[(3R)-3-aminopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

7-[(3R)-3-aminopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

C12H17N5O3S (311.1052)


   

Benzyl 4-(bromomethyl)-1-piperidinecarboxylate

Benzyl 4-(bromomethyl)-1-piperidinecarboxylate

C14H18BrNO2 (311.0521)


   

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)


   

dbd-pz

4-(N,N-Dimethylsulfamoyl)-7-piperazino-benzofurazan

C12H17N5O3S (311.1052)


   

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)


   

ETHYL 5-HYDROXY-7-OXO-2-PHENYL-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE

ETHYL 5-HYDROXY-7-OXO-2-PHENYL-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE

C16H13N3O4 (311.0906)


   

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-(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)


   

Etamicastat

Etamicastat

C14H15F2N3OS (311.0904)


C471 - Enzyme Inhibitor

   
   

N-Acetyl-9-deoxy-9-fluoroneuraminic Acid

N-Acetyl-9-deoxy-9-fluoroneuraminic Acid

C11H18FNO8 (311.1016)


   
   

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].

   

3H-1,2,4-Triazole-3-thione,5-[(2,6-dimethylphenoxy)methyl]-2,4-dihydro-4-phenyl-

3H-1,2,4-Triazole-3-thione,5-[(2,6-dimethylphenoxy)methyl]-2,4-dihydro-4-phenyl-

C17H17N3OS (311.1092)


   

2-(BENZYLAMINO)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE

2-(BENZYLAMINO)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE

C17H17N3OS (311.1092)


   

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)


   

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)


   

4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINAMINE

4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINAMINE

C14H12F3N3O2 (311.0882)


   

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)


   

2-bromo-n,n-dibutylbenzamide

2-bromo-n,n-dibutylbenzamide

C15H22BrNO (311.0885)


   

(tert-Butylimido)osmium trioxide

(tert-Butylimido)osmium trioxide

C4H9NO3Os (311.0188)


   

2-bromo-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide

2-bromo-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide

C15H22BrNO (311.0885)


   

1-[3-(4-Bromophenoxy)propyl]-4-methylpiperidine

1-[3-(4-Bromophenoxy)propyl]-4-methylpiperidine

C15H22BrNO (311.0885)


   

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)


   

11-(1-Piperazinyl)Dibenzo[b,f][1,4]Thiazepin-7-Ol

11-(1-Piperazinyl)Dibenzo[b,f][1,4]Thiazepin-7-Ol

C17H17N3OS (311.1092)


   

(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)


   

S-Bimanylcysteine

S-Bimanylcysteine

C13H17N3O4S (311.094)


   

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)


   

Eptazocine hydrobromide

Eptazocine hydrobromide

C15H22BrNO (311.0885)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent

   

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)


   

5-(2,5-difluorophenyl)-N-(2-oxolanylmethyl)-6H-1,3,4-thiadiazin-2-amine

5-(2,5-difluorophenyl)-N-(2-oxolanylmethyl)-6H-1,3,4-thiadiazin-2-amine

C14H15F2N3OS (311.0904)


   

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)


   

5-S-ethyl-5-thioadenosine

5-S-ethyl-5-thioadenosine

C12H17N5O3S (311.1052)


   

(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)


   

metamizole

metamizole

C13H17N3O4S (311.094)


D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D058633 - Antipyretics

   

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)


   

Deoxyproviolacein

Deoxyproviolacein

C20H13N3O (311.1059)


   

Geranyl diphosphate(3-)

Geranyl diphosphate(3-)

C10H17O7P2-3 (311.0449)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Neryl pyrophosphate

Neryl pyrophosphate

C10H17O7P2-3 (311.0449)


   

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

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

C10H17O7P2-3 (311.0449)


   

N-[(S-(Z)-Phenylacetohydroximoyl)-L-cysteinyl]glycine

N-[(S-(Z)-Phenylacetohydroximoyl)-L-cysteinyl]glycine

C13H17N3O4S (311.094)


   

4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate

4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate

C14H11N6O3- (311.0893)


   

(-)-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)


   

(3Z,5E)-3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one

(3Z,5E)-3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one

C19H15F2NO (311.1122)


   

Marinoquinoline F

Marinoquinoline F

C20H13N3O (311.1059)


A natural product found in Ohtaekwangia kribbensis.

   

3-(4-ethoxyphenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

3-(4-ethoxyphenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

C17H17N3OS (311.1092)


   

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)


   

3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester

3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester

C18H17NO2S (311.098)


   

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)


   

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)


   

3-Amino-2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

3-Amino-2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

C17H17N3OS (311.1092)


   

(-)-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)


   

Ethyl 4-[[(2-methoxyacetyl)amino]carbamothioylamino]benzoate

Ethyl 4-[[(2-methoxyacetyl)amino]carbamothioylamino]benzoate

C13H17N3O4S (311.094)


   

1-(1H-indol-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone

1-(1H-indol-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone

C16H13N3O4 (311.0906)


   

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)


   

N-(2,6-dimethylphenyl)-5-(4-methyl-3-thiophenyl)-2-furancarboxamide

N-(2,6-dimethylphenyl)-5-(4-methyl-3-thiophenyl)-2-furancarboxamide

C18H17NO2S (311.098)


   

4-Methoxy-6-[5-(2-nitrophenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone

4-Methoxy-6-[5-(2-nitrophenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone

C16H13N3O4 (311.0906)


   

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.

   
   
   
   

4-(4-Phenoxy-1-piperidinyl)thieno[2,3-d]pyrimidine

4-(4-Phenoxy-1-piperidinyl)thieno[2,3-d]pyrimidine

C17H17N3OS (311.1092)


   
   

6-chloro-N-(2-methylpropyl)-2-phenyl-1-benzopyran-4-imine

6-chloro-N-(2-methylpropyl)-2-phenyl-1-benzopyran-4-imine

C19H18ClNO (311.1077)


   

(5R)-3-(benzylamino)-5-(4-chlorophenyl)cyclohex-2-en-1-one

(5R)-3-(benzylamino)-5-(4-chlorophenyl)cyclohex-2-en-1-one

C19H18ClNO (311.1077)


   

[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)


   

Taxiphyllin

(2R)-2-(4-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile

C14H17NO7 (311.1005)


(R)-4-hydroxymandelonitrile beta-D-glucoside is a beta-D-glucoside consisting of (R)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. It is a beta-D-glucoside and a nitrile. It is functionally related to a (R)-prunasin. Taxiphyllin is a natural product found in Girgensohnia oppositiflora, Caroxylon tetrandrum, and other organisms with data available.

   
   

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.

   

Citalopram propionic acid

Citalopram propionic acid

C18H14FNO3 (311.0958)


   

N-(1-Deoxy-1-fructosyl)methionine

N-(1-Deoxy-1-fructosyl)methionine

C11H21NO7S (311.1039)


   

2-(2E-propionyl)-sn-glycero-3-phosphocholine

2-(2E-propionyl)-sn-glycero-3-phosphocholine

C11H22NO7P (311.1134)


   

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.

   

5-ethylthioadenosine

5-ethylthioadenosine

C12H17N5O3S (311.1052)


A thioadenosine that is adenosine with the hydroxy group at C-5 substituted with an ethylthio (ethylsulfanyl) group.

   

(S)-4-Hydroxymandelonitrile beta-D-glucoside

(S)-4-Hydroxymandelonitrile beta-D-glucoside

C14H17NO7 (311.1005)


A beta-D-glucoside consisting of (S)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring.

   

EF24

EF24

C19H15F2NO (311.1122)


EF24 is a curcumin analogue with greater anti-tumor efficacy and oral bioavailability via deactivation of the MAPK/ERK signaling pathway in oral squamous cell carcinoma (OSCC). EF24 treatment increases the levels of activated caspase 3 and 9, and decreases the phosphorylated forms of MEK1 and ERK[1][2].

   

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"}

   

2-(4-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetonitrile

2-(4-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetonitrile

C14H17NO7 (311.1005)


   

3-formyl-6-(c-hydroxycarbonimidoyl)-5-methyl-10h-phenazine-1-carboxylic acid

3-formyl-6-(c-hydroxycarbonimidoyl)-5-methyl-10h-phenazine-1-carboxylic acid

C16H13N3O4 (311.0906)


   

(2r)-2-(3-hydroxyphenyl)-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile

(2r)-2-(3-hydroxyphenyl)-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile

C14H17NO7 (311.1005)


   

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)


   

4,14,18-triazahexacyclo[14.6.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0²⁰,²³]tricosa-1,3(11),5,7,9,16,18,20(23),21-nonaen-15-one

4,14,18-triazahexacyclo[14.6.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0²⁰,²³]tricosa-1,3(11),5,7,9,16,18,20(23),21-nonaen-15-one

C20H13N3O (311.1059)


   

7-hydroxy-6-{1-[(4z)-2-imino-3h-imidazol-4-ylidene]-2-oxopropyl}-2-methylchromen-4-one

7-hydroxy-6-{1-[(4z)-2-imino-3h-imidazol-4-ylidene]-2-oxopropyl}-2-methylchromen-4-one

C16H13N3O4 (311.0906)


   

3-{9h-pyrido[3,4-b]indole-1-carbonyl}-1h-indole

3-{9h-pyrido[3,4-b]indole-1-carbonyl}-1h-indole

C20H13N3O (311.1059)


   

2-(4-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetonitrile

2-(4-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetonitrile

C14H17NO7 (311.1005)


   

7-hydroxy-5-{1-[(4z)-2-imino-3h-imidazol-4-ylidene]-2-oxopropyl}-2-methylchromen-4-one

7-hydroxy-5-{1-[(4z)-2-imino-3h-imidazol-4-ylidene]-2-oxopropyl}-2-methylchromen-4-one

C16H13N3O4 (311.0906)


   

(2s)-2-(3-hydroxyphenyl)-2-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile

(2s)-2-(3-hydroxyphenyl)-2-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile

C14H17NO7 (311.1005)


   

(3r,4s,5s,6r)-2-[(2r)-3-hydroxy-2h-1,4-benzoxazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

(3r,4s,5s,6r)-2-[(2r)-3-hydroxy-2h-1,4-benzoxazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

C14H17NO7 (311.1005)


   

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)


   

5'-s-ethyl-5'-thioadenosine

5'-s-ethyl-5'-thioadenosine

C12H17N5O3S (311.1052)


   

3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaen-12-ol

3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaen-12-ol

C20H13N3O (311.1059)


   

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)


   

7-hydroxy-5-[1-(2-imino-3h-imidazol-4-ylidene)-2-oxopropyl]-2-methylchromen-4-one

7-hydroxy-5-[1-(2-imino-3h-imidazol-4-ylidene)-2-oxopropyl]-2-methylchromen-4-one

C16H13N3O4 (311.0906)


   

(2s,3r,4s,5s,6r)-2-{[(3s)-2-hydroxy-3h-indol-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(3s)-2-hydroxy-3h-indol-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C14H17NO7 (311.1005)