Exact Mass: 446.1452

Exact Mass Matches: 446.1452

Found 133 metabolites which its exact mass value is equals to given mass value 446.1452, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Lucuminic acid

2-phenyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]acetic acid

C19H26O12 (446.1424)


Lucuminic acid is found in fruits. Lucuminic acid is a constituent of Calocarpum sapota (marmalade plum) Constituent of Calocarpum sapota (marmalade plum). Lucuminic acid is found in fruits.

   

Gefitinib

N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine

C22H24ClFN4O3 (446.1521)


Gefitinib (originally coded ZD1839) is a drug used in the treatment of certain types of cancer. Acting in a similar manner to erlotinib (marketed as Tarceva), gefitinib selectively targets the mutant proteins in malignant cells. It is marketed by AstraZeneca under the trade name Iressa. [Wikipedia] L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EB - Epidermal growth factor receptor (egfr) tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents

   

Monotropeoside

Methyl 2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoic acid

C19H26O12 (446.1424)


Monotropeoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Monotropeoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Monotropeoside can be found in bilberry, which makes monotropeoside a potential biomarker for the consumption of this food product.

   

Gaultherin

methyl 2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate

C19H26O12 (446.1424)


Gaultherin is a glycoside. Gaultherin is a natural product found in Gaultheria procumbens, Monotropa hypopitys, and other organisms with data available. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Gaultherin, a natural salicylate derivative, is isolated from Gaultheria yunnanensis. Gaultherin is a non-steroidal anti-inflammatory drug (NSAID). Gaultherin has analgesic and anti-inflammatory effects and lack gastric ulcerogenic effect compared to Aspirin[1].

   

Daphylloside

methyl (1S,4aS,5S,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

C19H26O12 (446.1424)


Daphylloside is a glycoside and an iridoid monoterpenoid. Daphylloside is a natural product found in Spermacoce alata, Escallonia myrtoidea, and other organisms with data available.

   

SCHEMBL7040744

SCHEMBL7040744

C19H26O12 (446.1424)


   

Canthoside A

(-)-Canthoside A

C19H26O12 (446.1424)


   
   

6-O-Benzoylsucrose

6-O-Benzoylsucrose

C19H26O12 (446.1424)


   

10-Acetoxymajoroside

10-Acetoxymajoroside

C19H26O12 (446.1424)


   

Longicaudatin

Longicaudatin

C26H22O7 (446.1365)


   
   
   

4-Methyl,2-P-[beta-D-xylopyranosyl-1-6-beta-D-glucopyranoside]-2,4-Dihydroxybenzaldehyde

4-Methyl,2-P-[beta-D-xylopyranosyl-1-6-beta-D-glucopyranoside]-2,4-Dihydroxybenzaldehyde

C19H26O12 (446.1424)


   

3-methoxy-4-[O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranosyloxy]benzaldehyde|bretschneideroside A

3-methoxy-4-[O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranosyloxy]benzaldehyde|bretschneideroside A

C19H26O12 (446.1424)


   

Triquetrumone B

Triquetrumone B

C26H22O7 (446.1365)


   
   

9alpha,13alpha-dihydroxyisopropylidenylisatisine A

9alpha,13alpha-dihydroxyisopropylidenylisatisine A

C25H22N2O6 (446.1478)


   

erythritol-1-O-(6-O-trans-caffeoyl)-beta-D-glucopyranoside

erythritol-1-O-(6-O-trans-caffeoyl)-beta-D-glucopyranoside

C19H26O12 (446.1424)


   

Hexa-Ac-4-C-Methyl-myo-C-Methylinositol

Hexa-Ac-4-C-Methyl-myo-C-Methylinositol

C19H26O12 (446.1424)


   

benzoyl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside

benzoyl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside

C19H26O12 (446.1424)


   

eurycorymboside B

eurycorymboside B

C19H26O12 (446.1424)


   

cinnacasolide A|methyl 3-hydoxybenzoyl-3-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside

cinnacasolide A|methyl 3-hydoxybenzoyl-3-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside

C19H26O12 (446.1424)


   

galioside 10-acetate

galioside 10-acetate

C19H26O12 (446.1424)


   

p-hydroxybenzoyl-beta-D-rutinoside

p-hydroxybenzoyl-beta-D-rutinoside

C19H26O12 (446.1424)


   
   
   

1-oxo-4-demethoxy-3,4-methylenedioxyrocaglaol

1-oxo-4-demethoxy-3,4-methylenedioxyrocaglaol

C26H22O7 (446.1365)


   

betabeta-Pyranose-benzyl glycoside-3-O-beta-D-Glucopyranuronosyl-D-galactose

betabeta-Pyranose-benzyl glycoside-3-O-beta-D-Glucopyranuronosyl-D-galactose

C19H26O12 (446.1424)


   
   

2-[2-(4-Methyl-2-oxo-2H-chromen-7-yloxy)-acetyl]-1,2,3,4-tetrahydro-beta-carbolin-3-ylcarboxylic acid methyl ester

"NCGC00160147-01!2-[2-(4-Methyl-2-oxo-2H-chromen-7-yloxy)-acetyl]-1,2,3,4-tetrahydro-beta-carbolin-3-ylcarboxylic acid methyl ester"

C25H22N2O6 (446.1478)


   

4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid

NCGC00347669-02!4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid

C19H26O12 (446.1424)


   

C19H26O12_4-Acetyl-2-hydroxyphenyl 2-O-beta-D-fructofuranosyl-beta-D-xylopyranoside

NCGC00380366-01_C19H26O12_4-Acetyl-2-hydroxyphenyl 2-O-beta-D-fructofuranosyl-beta-D-xylopyranoside

C19H26O12 (446.1424)


   

C19H26O12_beta-D-Fructofuranosyl 6-O-benzoyl-alpha-D-glucopyranoside

NCGC00384971-01_C19H26O12_beta-D-Fructofuranosyl 6-O-benzoyl-alpha-D-glucopyranoside

C19H26O12 (446.1424)


   

C19H26O12_Methyl 2-{[6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}benzoate

NCGC00180731-02_C19H26O12_Methyl 2-{[6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}benzoate

C19H26O12 (446.1424)


   

C19H26O12_Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, methyl ester, (1S,4aS,5S,7aS)

NCGC00380265-01_C19H26O12_Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, methyl ester, (1S,4aS,5S,7aS)-

C19H26O12 (446.1424)


   

4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid [IIN-based: Match]

NCGC00347669-02!4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid [IIN-based: Match]

C19H26O12 (446.1424)


   

Cys Gly His Met

(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C16H26N6O5S2 (446.1406)


   

Cys Gly Met His

(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid

C16H26N6O5S2 (446.1406)


   

Cys His Gly Met

(2S)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]acetamido}-4-(methylsulfanyl)butanoic acid

C16H26N6O5S2 (446.1406)


   

Cys His Met Gly

2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]acetic acid

C16H26N6O5S2 (446.1406)


   

Cys Met Gly His

(2S)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]acetamido}-3-(1H-imidazol-4-yl)propanoic acid

C16H26N6O5S2 (446.1406)


   

Cys Met His Gly

2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]acetic acid

C16H26N6O5S2 (446.1406)


   

Gly Cys His Met

(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C16H26N6O5S2 (446.1406)


   

Gly Cys Met His

(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid

C16H26N6O5S2 (446.1406)


   

Gly His Cys Met

(2S)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C16H26N6O5S2 (446.1406)


   

Gly His Met Cys

(2R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C16H26N6O5S2 (446.1406)


   

Gly Met Cys His

(2S)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C16H26N6O5S2 (446.1406)


   

Gly Met His Cys

(2R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C16H26N6O5S2 (446.1406)


   

His Cys Gly Met

(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]acetamido}-4-(methylsulfanyl)butanoic acid

C16H26N6O5S2 (446.1406)


   

His Cys Met Gly

2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]acetic acid

C16H26N6O5S2 (446.1406)


   

His Gly Cys Met

(2S)-2-[(2R)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C16H26N6O5S2 (446.1406)


   

His Gly Met Cys

(2R)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C16H26N6O5S2 (446.1406)


   

His Met Cys Gly

2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]acetic acid

C16H26N6O5S2 (446.1406)


   

His Met Gly Cys

(2R)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]acetamido}-3-sulfanylpropanoic acid

C16H26N6O5S2 (446.1406)


   

Met Cys Gly His

(2S)-2-{2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]acetamido}-3-(1H-imidazol-4-yl)propanoic acid

C16H26N6O5S2 (446.1406)


   

Met Cys His Gly

2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]acetic acid

C16H26N6O5S2 (446.1406)


   

Met Gly Cys His

(2S)-2-[(2R)-2-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C16H26N6O5S2 (446.1406)


   

Met Gly His Cys

(2R)-2-[(2S)-2-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C16H26N6O5S2 (446.1406)


   

Met His Cys Gly

2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]acetic acid

C16H26N6O5S2 (446.1406)


   

Met His Gly Cys

(2R)-2-{2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-sulfanylpropanoic acid

C16H26N6O5S2 (446.1406)


   

Gefitinib

N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine

C22H24ClFN4O3 (446.1521)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EB - Epidermal growth factor receptor (egfr) tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents

   

Lucuminic acid

2-phenyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]acetic acid

C19H26O12 (446.1424)


   

1,3,5-TRI-O-BENZOYL-2-DEOXY-2-FLUORO-α-D-ARABINOFURANOSE

1,3,5-TRI-O-BENZOYL-2-DEOXY-2-FLUORO-α-D-ARABINOFURANOSE

C26H22O7 (446.1365)


   
   

2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1,1-dimethyl-2-(1-methylethoxy)-2-oxoethyl ester

2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1,1-dimethyl-2-(1-methylethoxy)-2-oxoethyl ester

C24H27ClO6 (446.1496)


   

3-ETHYL-5-[(E,2E)-1-PHENYL-4-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-2-BUTENYLIDENE]-2-THIOXO-1,3-THIAZOLIDIN-4-ONE

3-ETHYL-5-[(E,2E)-1-PHENYL-4-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-2-BUTENYLIDENE]-2-THIOXO-1,3-THIAZOLIDIN-4-ONE

C26H26N2OS2 (446.1486)


   

Benzene,1,3-bis(3-phenoxyphenoxy)-

Benzene,1,3-bis(3-phenoxyphenoxy)-

C30H22O4 (446.1518)


   

Fmoc-(R)-3-Amino-4-(4-nitrophenyl)-butyric acid

Fmoc-(R)-3-Amino-4-(4-nitrophenyl)-butyric acid

C25H22N2O6 (446.1478)


   

Cloprostenol Sodium

Cloprostenol Sodium

C22H28ClNaO6 (446.1472)


D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D012102 - Reproductive Control Agents > D008186 - Luteolytic Agents

   

NVP-BKM120 (Hydrochloride)

NVP-BKM120 (Hydrochloride)

C18H22ClF3N6O2 (446.1445)


   

2-(2-methylpropoxy)ethyl 2-(2-cyanoethylamino)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzoate

2-(2-methylpropoxy)ethyl 2-(2-cyanoethylamino)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzoate

C19H22N6O5S (446.1372)


   

benzene-1,3-dicarboxylic acid,furan-2,5-dione,2-(2-hydroxyethoxy)ethanol,propane-1,2-diol

benzene-1,3-dicarboxylic acid,furan-2,5-dione,2-(2-hydroxyethoxy)ethanol,propane-1,2-diol

C19H26O12 (446.1424)


   
   

Fmoc-(S)-3-Amino-4-(4-nitro-phenyl)-butyric acid

Fmoc-(S)-3-Amino-4-(4-nitro-phenyl)-butyric acid

C25H22N2O6 (446.1478)


   

GW791343

GW791343

C20H26Cl2F2N4O (446.1452)


GW791343 dihydrochloride is a potent human P2X7 receptor negative allosteric modulator (exhibits species-specific activity), produces a non-competitive antagonist effect on human P2X7 receptor, with a pIC50 of 6.9-7.2. GW791343 dihydrochloride can enhance ATP rhythm. GW791343 dihydrochloride can be used in study of neurological disease[1][2].

   

3-Deschloro-4-Desfluoro-4-Chloro-3-Fluoro Gefitinib

3-Deschloro-4-Desfluoro-4-Chloro-3-Fluoro Gefitinib

C22H24ClFN4O3 (446.1521)


   

POLYPHENYL ETHER (5 RINGS) OS-124, STAT. PHASE FOR GC

POLYPHENYL ETHER (5 RINGS) OS-124, STAT. PHASE FOR GC

C30H22O4 (446.1518)


   

N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide

N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide

C26H23ClN2O3 (446.1397)


   

(S)-2-(4-ETHYL-2-OXOOXAZOLIDIN-3-YL)BENZONITRILE

(S)-2-(4-ETHYL-2-OXOOXAZOLIDIN-3-YL)BENZONITRILE

C25H22N2O6 (446.1478)


   

o-bis(diphenylphosphino)benzene

o-bis(diphenylphosphino)benzene

C30H24P2 (446.1353)


   

methyl 4-[5-[(1,3-dioxoisoindol-2-yl)methyl]uran-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

methyl 4-[5-[(1,3-dioxoisoindol-2-yl)methyl]uran-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

C25H22N2O6 (446.1478)


   

(2S)-2-[[4-[[(6S)-2,4-dioxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid

(2S)-2-[[4-[[(6S)-2,4-dioxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid

C19H22N6O7 (446.155)


   

2-[4-[(E)-3-[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]prop-2-enoyl]phenoxy]acetic acid

2-[4-[(E)-3-[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]prop-2-enoyl]phenoxy]acetic acid

C26H22O7 (446.1365)


   

2-[3-(3,4-Dimethoxyphenyl)-2,4-dioxo-1-quinazolinyl]acetic acid (phenylmethyl) ester

2-[3-(3,4-Dimethoxyphenyl)-2,4-dioxo-1-quinazolinyl]acetic acid (phenylmethyl) ester

C25H22N2O6 (446.1478)


   

ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate

ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate

C24H22N4O3S (446.1413)


   

N-[5-[2-(2,5-dimethoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-methylpentanamide

N-[5-[2-(2,5-dimethoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-methylpentanamide

C21H26N4O3S2 (446.1446)


   

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide

C21H18N8O4 (446.1451)


   

2-[(1S,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

2-[(1S,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

C22H26N2O6S (446.1511)


   

2-[(1S,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

2-[(1S,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

C22H26N2O6S (446.1511)


   

2-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

2-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

C22H26N2O6S (446.1511)


   

2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

C22H26N2O6S (446.1511)


   

2-[(1R,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

2-[(1R,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

C22H26N2O6S (446.1511)


   

2-[(1R,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

2-[(1R,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

C22H26N2O6S (446.1511)


   

2-[(1R,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

2-[(1R,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

C22H26N2O6S (446.1511)


   

2-[(1S,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

2-[(1S,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

C22H26N2O6S (446.1511)


   

Sucrose 6-benzoate

Sucrose 6-benzoate

C19H26O12 (446.1424)


   

methyl (3R)-2-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate

methyl (3R)-2-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate

C25H22N2O6 (446.1478)


   

4-(3-Acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid

4-(3-Acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid

C19H26O12 (446.1424)


   

OGT-IN-2

OGT-IN-2

C23H27ClN2O3S (446.1431)


OGT-IN-2 (compound 4) is a potent O-GlcNAc transferase (OGT) inhibitor, with IC50 values of 30 and 53 μM for sOGT and ncOGT, respectively[1].

   

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

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

C19H26O12 (446.1424)


   

(2r,5s,6r)-6-(2h-1,3-benzodioxol-5-yl)-2-hydroxy-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-3-one

(2r,5s,6r)-6-(2h-1,3-benzodioxol-5-yl)-2-hydroxy-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-3-one

C26H22O7 (446.1365)


   

6-(2h-1,3-benzodioxol-5-yl)-2-hydroxy-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-3-one

6-(2h-1,3-benzodioxol-5-yl)-2-hydroxy-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-3-one

C26H22O7 (446.1365)


   

methyl 2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}benzoate

methyl 2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}benzoate

C19H26O12 (446.1424)


   

(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl benzoate

(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl benzoate

C19H26O12 (446.1424)


   

methyl 7-[(acetyloxy)methyl]-6-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h-cyclopenta[c]pyran-4-carboxylate

methyl 7-[(acetyloxy)methyl]-6-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h-cyclopenta[c]pyran-4-carboxylate

C19H26O12 (446.1424)


   

methyl 2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoate

methyl 2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoate

C19H26O12 (446.1424)


   

10-acetoxymajoroside

NA

C19H26O12 (446.1424)


{"Ingredient_id": "HBIN000045","Ingredient_name": "10-acetoxymajoroside","Alias": "NA","Ingredient_formula": "C19H26O12","Ingredient_Smile": "CC(=O)OCC1=C2C(CC1O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC","Ingredient_weight": "446.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "250","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101006028","DrugBank_id": "NA"}

   

1′-O-benzoylsucrose

NA

C19H26O12 (446.1424)


{"Ingredient_id": "HBIN002845","Ingredient_name": "1\u2032-O-benzoylsucrose","Alias": "NA","Ingredient_formula": "C19H26O12","Ingredient_Smile": "C1=CC=C(C=C1)C(=O)OCC2(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32417","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

methyl 2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoate

methyl 2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoate

C19H26O12 (446.1424)


   

bretschneideroside a

bretschneideroside a

C19H26O12 (446.1424)


   

4-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-methoxybenzaldehyde

4-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-methoxybenzaldehyde

C19H26O12 (446.1424)


   

(10-methoxy-2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-en-6-yl)methyl acetate

(10-methoxy-2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-en-6-yl)methyl acetate

C19H26O12 (446.1424)


   

11,17-dihydroxy-7,7,10,20,20-pentamethyl-2,8,19,25-tetraoxahexacyclo[12.11.0.0³,¹².0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosa-1(14),3,5,9,11,15(24),16,18(23),21-nonaen-13-one

11,17-dihydroxy-7,7,10,20,20-pentamethyl-2,8,19,25-tetraoxahexacyclo[12.11.0.0³,¹².0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosa-1(14),3,5,9,11,15(24),16,18(23),21-nonaen-13-one

C26H22O7 (446.1365)


   

methyl (1s,4as,7r,7as)-7-[(acetyloxy)methyl]-7-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,7ah-cyclopenta[c]pyran-4-carboxylate

methyl (1s,4as,7r,7as)-7-[(acetyloxy)methyl]-7-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,7ah-cyclopenta[c]pyran-4-carboxylate

C19H26O12 (446.1424)


   

(r)-phenyl({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy})acetic acid

(r)-phenyl({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy})acetic acid

C19H26O12 (446.1424)


   

sucrose 1'-benzoate

sucrose 1'-benzoate

C19H26O12 (446.1424)


   

(3s)-3-hydroxy-3-methyl-5-oxo-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxy-3-methoxyphenoxy)oxan-2-yl]methoxy}pentanoic acid

(3s)-3-hydroxy-3-methyl-5-oxo-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxy-3-methoxyphenoxy)oxan-2-yl]methoxy}pentanoic acid

C19H26O12 (446.1424)


   

methyl 7-[(acetyloxy)methyl]-7-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,7ah-cyclopenta[c]pyran-4-carboxylate

methyl 7-[(acetyloxy)methyl]-7-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,7ah-cyclopenta[c]pyran-4-carboxylate

C19H26O12 (446.1424)


   

methyl 7-[(acetyloxy)methyl]-5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate

methyl 7-[(acetyloxy)methyl]-5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate

C19H26O12 (446.1424)


   

1-(2-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)ethanone

1-(2-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)ethanone

C19H26O12 (446.1424)


   

4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}benzoic acid

4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}benzoic acid

C19H26O12 (446.1424)


   

1-phenoxy-3-[3-(3-phenoxyphenoxy)phenoxy]benzene

1-phenoxy-3-[3-(3-phenoxyphenoxy)phenoxy]benzene

C30H22O4 (446.1518)


   

methyl 2-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-({[(2r,3s,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoate

methyl 2-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-({[(2r,3s,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoate

C19H26O12 (446.1424)


   

methyl (1s,4as,5r,7as)-7-[(acetyloxy)methyl]-5-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate

methyl (1s,4as,5r,7as)-7-[(acetyloxy)methyl]-5-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate

C19H26O12 (446.1424)


   

methyl (1s,4as,5s,7as)-7-[(acetyloxy)methyl]-5-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate

methyl (1s,4as,5s,7as)-7-[(acetyloxy)methyl]-5-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate

C19H26O12 (446.1424)


   

methyl 2-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}benzoate

methyl 2-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}benzoate

C19H26O12 (446.1424)


   

1-(2-hydroxy-4-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-({[(2s,3s,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)ethanone

1-(2-hydroxy-4-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-({[(2s,3s,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)ethanone

C19H26O12 (446.1424)


   

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-[(3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoate

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-[(3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoate

C19H26O12 (446.1424)


   

[(1s,4r,7s,8s,10r,11s)-10-methoxy-2-oxo-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-en-6-yl]methyl acetate

[(1s,4r,7s,8s,10r,11s)-10-methoxy-2-oxo-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-en-6-yl]methyl acetate

C19H26O12 (446.1424)


   

methyl (1s,4as,6s)-7-[(acetyloxy)methyl]-6-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h-cyclopenta[c]pyran-4-carboxylate

methyl (1s,4as,6s)-7-[(acetyloxy)methyl]-6-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h-cyclopenta[c]pyran-4-carboxylate

C19H26O12 (446.1424)


   

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

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

C19H26O12 (446.1424)