Exact Mass: 449.0847892

Exact Mass Matches: 449.0847892

Found 129 metabolites which its exact mass value is equals to given mass value 449.0847892, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

6-(Methylthio)hexyl glucosinolate

{[(e)-[7-(methylsulphanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}heptylidene]amino]oxy}sulphonic acid

C14H27NO9S3 (449.0847892)


6-(Methylthio)hexyl glucosinolate is found in horseradish. 6-(Methylthio)hexyl glucosinolate is present in Arabidopsis thaliana and other crucifers. Present in Arabidopsis thaliana and other crucifers. 6-(Methylthio)hexyl glucosinolate is found in horseradish.

   

Cyanidin 3-glucoside

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium

[C21H21O11]+ (449.10838160000003)


Cyanidin 3-glucoside, also known as chrysanthenin or cyanidin 3-glucoside chloride (CAS: 7084-24-4), belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone. Cyanidin 3-glucoside is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, cyanidin 3-glucoside is found, on average, in the highest concentration within a few different foods, such as black elderberries, rubus (blackberry, raspberry), and bilberries and in a lower concentration in redcurrants, strawberries, and sweet oranges. Cyanidin 3-glucoside has also been detected, but not quantified in, several different foods, such as common pea, peaches, Tartary buckwheats, soft-necked garlic, and fats and oils. This could make cyanidin 3-glucoside a potential biomarker for the consumption of these foods. Cyanidin (and its glycosides) is the most commonly occurring of the anthocyanins, a widespread group of pigments responsible for the red-blue colour of many fruits and vegetables (PMID: 14711454). BioTransformer predicts that cyanidin 3-​glucoside is a product of cyanidin 3-​sophoroside metabolism via a glycoside-hydrolysis reaction occurring in human gut microbiota and catalyzed by the EC.3.2.1.X enzyme (PMID: 30612223). Acquisition and generation of the data is financially supported in part by CREST/JST. Found in many plants and fruits, e.g. cherries, olives and grapes

   

Cyhalothrin

Cyclopropanecarboxylicacid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-,(S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3R)-

C23H19ClF3NO3 (449.1005490000001)


D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals Same as: D07762

   
   

Cyanidin 3-galactoside

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

[C21H21O11]+ (449.10838160000003)


Isolated from numerous plants including cranberry (Vaccinium vitis-idaea), red pears and pistachio (Pistacia vera). Cyanidin 3-galactoside is found in many foods, some of which are corn, blackcurrant, strawberry, and pomes. Cyanidin 3-galactoside is found in american cranberry. Cyanidin 3-galactoside is isolated from numerous plants including cranberry (Vaccinium vitis-idaea), red pears and pistachio (Pistacia vera). Acquisition and generation of the data is financially supported in part by CREST/JST.

   

Cyanidin 4'-glucoside

3,5,7-trihydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1λ⁴-chromen-1-ylium

C21H21O11+ (449.10838160000003)


Isolated from okra petals (Hibiscus esculentus). Cyanidin 4-glucoside is found in garden onion, green vegetables, and okra. Cyanidin 4-glucoside is found in garden onion. Cyanidin 4-glucoside is isolated from okra petals (Hibiscus esculentus).

   

Cyanidin 7-glucoside

2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C21H21O11+ (449.10838160000003)


Cyanidin 7-glucoside is found in fruits. Cyanidin 7-glucoside is isolated from blackberry (Rubus fruticosus). Isolated from blackberry (Rubus fruticosus). Cyanidin 7-glucoside is found in fruits.

   

Carnocin CP 5

{[1,4-dioxo-3-(1λ⁵-pyridin-1-ylium-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]imino}({4-[(1-hydroxyethylidene)amino]phenyl})dioxo-λ⁶-sulphanuide

C23H19N3O5S (449.1045364000001)


Carnocin CP 5 is found in fishes. Carnocin CP 5 is produced by Carnobacterium piscicola CP5. Production by Carnobacterium piscicola CP5. Carnocin CP 5 is found in fishes.

   

Bictegravir

5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazatetracyclo[11.2.1.0^{2,11}.0^{4,9}]hexadeca-4,7-diene-7-carboxamide

C21H18F3N3O5 (449.1198494)


   

Commodore

Cyano(4-phenoxyphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylic acid

C23H19ClF3NO3 (449.1005490000001)


   

Crizotinib

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine

C21H22Cl2FN5O (449.1185354)


   

Cyhalothrin

Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester

C23H19ClF3NO3 (449.1005490000001)


   

Cyanidin 3-O-alpha-L-galactoside

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C21H21O11 (449.10838160000003)


Cyanidin 3-o-alpha-l-galactoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cyanidin 3-o-alpha-l-galactoside can be found in highbush blueberry, which makes cyanidin 3-o-alpha-l-galactoside a potential biomarker for the consumption of this food product.

   

Delphinidin 3-rhamnoside

5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium

C21H21O11+ (449.10838160000003)


Delphinidin 3-rhamnoside is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Delphinidin 3-rhamnoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Delphinidin 3-rhamnoside can be found in blackcurrant, which makes delphinidin 3-rhamnoside a potential biomarker for the consumption of this food product.

   

Cyanidin 3-O-arabinoside

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium

C21H21O11 (449.10838160000003)


   

Petunidin 3-arabinoside

2- (3,4-Dihydroxy-5-methoxyphenyl) -5,7-dihydroxy-3- (beta-D-arabinofuranosyloxy) -1-benzopyrylium

C21H21O11 (449.10838160000003)


   
   

6-Hydroxypelargonidin 3-glucoside

6-Hydroxypelargonidin 3-glucoside

C21H21O11 (449.10838160000003)


   

Petunidin 3-o-alpha-L-arabinopyranoside

Petunidin 3-o-alpha-L-arabinopyranoside

C21H21O11 (449.10838160000003)


   

Asterin

2- (3,4-Dihydroxyphenyl) -3- (beta-D-glucopyranosyloxy) -5,7-dihydroxy-1-benzopyrylium

C21H21O11+ (449.10838160000003)


   
   

3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine

3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine

C21H22Cl2FN5O (449.1185354)


   
   
   
   
   

Glucolesquerellin

{[(E)-[7-(methylsulfanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene]amino]oxy}sulfonic acid

C14H27NO9S3 (449.0847892)


http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 3

   
   
   

cyanidin-3-o-galactoside

cyanidin-3-o-galactoside

[C21H21O11]+ (449.10838160000003)


Annotation level-1

   

Cyanidin-3-O-glucoside

Cyanidin-3-O-glucoside

[C21H21O11]+ (449.10838160000003)


Annotation level-1

   

Crizotinib

Crizotinib

C21H22Cl2FN5O (449.1185354)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01ED - Anaplastic lymphoma kinase (alk) inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164000 - c-Met-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C141136 - ALK Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents Crizotinib (PF-02341066) is an orally bioavailable, ATP-competitive ALK and c-Met inhibitor with IC50s of 20 and 8 nM, respectively. Crizotinib inhibits tyrosine phosphorylation of NPM-ALK and tyrosine phosphorylation of c-Met with IC50s of 24 and 11 nM in cell-based assays, respectively. Crizotinib is also a ROS1 inhibitor. Crizotinib has effective tumor growth inhibition[1][2][3].

   

Idein

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1$l^{4}-chromen-1-ylium

C21H21O11+ (449.10838160000003)


   

Cyclen

2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1$l^{4}-chromen-1-ylium

C21H21O11 (449.10838160000003)


   

Cyanidin 4'-glucoside

3,5,7-trihydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1$l^{4}-chromen-1-ylium

C21H21O11 (449.10838160000003)


   

Carnocin CP 5

1-(3-{[(4-acetamidobenzene)sulfonyl]azanidyl}-1,4-dioxo-1,2,3,4-tetrahydronaphthalen-2-yl)-1$l^{5}-pyridin-1-ylium

C23H19N3O5S (449.1045364000001)


   

Idaein

Cyanidin 3-O-galactoside

C21H21O11+ (449.10838160000003)


   

Chrysanthemin

cyanidin 3-O-glucoside

C21H21O11 (449.10838160000003)


   
   
   

(5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester

(5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester

C21H21F2N3O4S (449.12207700000005)


   

Methyl3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranoside

Methyl3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranoside

C21H23NO10 (449.1321898)


   

2-[N-(2-Cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]anilino]ethyl acetate

2-[N-(2-Cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]anilino]ethyl acetate

C19H17Cl2N5O4 (449.0657542000001)


   
   

sodium 4-(2H-naphtho[1,2-d]triazol-2-yl)stilbene-2-sulphonate

sodium 4-(2H-naphtho[1,2-d]triazol-2-yl)stilbene-2-sulphonate

C24H16N3NaO3S (449.08100260000003)


   

4-[(2,4-dichlorophenyl)azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide

4-[(2,4-dichlorophenyl)azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide

C24H17Cl2N3O2 (449.0697762)


   

Icr-191 dihydrochloride

1,3-Propanediamine,N1-(2-chloroethyl)-N3-(6-chloro-2-methoxy-9-acridinyl)-, hydrochloride (1:2)

C19H23Cl4N3O (449.0595148)


   

Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-

Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-

C21H18Cl3N3O2 (449.0464538)


   

Bederocin

Bederocin

C20H21BrFN3OS (449.05726480000004)


C254 - Anti-Infective Agent > C52588 - Antibacterial Agent

   

(4Z)-4-[(2,5-dichlorophenyl)hydrazinylidene]-N-(4-methylphenyl)-3-oxonaphthalene-2-carboxamide

(4Z)-4-[(2,5-dichlorophenyl)hydrazinylidene]-N-(4-methylphenyl)-3-oxonaphthalene-2-carboxamide

C24H17Cl2N3O2 (449.0697762)


   
   

1-(2-aminoethyl)-3-(3,6-dihydroxy-3-oxospiro[2-benzofuran-1,9-xanthene]-5-yl)thiourea

1-(2-aminoethyl)-3-(3,6-dihydroxy-3-oxospiro[2-benzofuran-1,9-xanthene]-5-yl)thiourea

C23H19N3O5S (449.1045364000001)


   
   

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol

C21H21F2N3O4S (449.12207700000005)


   

Bictegravir

Bictegravir

C21H18F3N3O5 (449.1198494)


C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent

   

Asciminib

Asciminib

C20H18ClF2N5O3 (449.1066172000001)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   

Samarium(III) 2,4-pentanedionate hydrate

Samarium(III) 2,4-pentanedionate hydrate

C15H21O6Sm (449.0535476)


   

M2698 free base

M2698 free base

C21H19ClF3N5O (449.12301500000007)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C155764 - AKT Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor M2698 (MSC2363318A) is an orally active, ATP competitive, selective p70S6K and Akt dual-inhibitor with IC50s of 1 nM for p70S6K, Akt1 and Akt3. M2698 can cross the blood-brain barrier and has anti-cancer activity[1].

   

Brilaroxazine

Brilaroxazine

C22H25Cl2N3O3 (449.127288)


C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Brilaroxazine (RP5603) is a potent and orally active multimodal dopamine (DA)/serotonin (5-HT) modulator. Brilaroxazine is a partial agonist of dopamine (DA) D2, D3, and D4?receptors, 5-HT1A (Ki=1.5 nM)?and 5-HT2A (Ki=2.5 nM), and has antagonist activity at 5-HT2B (Ki=0.19 nM), and 5-HT7 (Ki=2.7 nM) receptors[1]. Brilaroxazine is an atypical antipsychotic agent, and has the potential to improve cognitive impairments in neuropsychiatric and neurological diseases in vivo[2].

   

4-[(7-oxo-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-ylidene)methylamino]-N-(2-pyridinyl)benzenesulfonamide

4-[(7-oxo-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-ylidene)methylamino]-N-(2-pyridinyl)benzenesulfonamide

C21H15N5O3S2 (449.061628)


   

N-[2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]benzamide

N-[2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]benzamide

C23H16ClN3O3S (449.0600856000001)


   

N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b]benzofuran-5-yl)-4-methoxybenzenesulfonamide

N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b]benzofuran-5-yl)-4-methoxybenzenesulfonamide

C25H23NO5S (449.12968680000006)


   

N-[[3-(4-nitrophenyl)sulfonyl-2-oxazolidinyl]methyl]-N-(2-pyridinylmethyl)oxamide

N-[[3-(4-nitrophenyl)sulfonyl-2-oxazolidinyl]methyl]-N-(2-pyridinylmethyl)oxamide

C18H19N5O7S (449.1005144)


   

1-bromo-3-(5,5-dimethyl-3-phenyl-4H-pyrazolo[4,3-a]carbazol-10-yl)-2-propanol

1-bromo-3-(5,5-dimethyl-3-phenyl-4H-pyrazolo[4,3-a]carbazol-10-yl)-2-propanol

C24H24BrN3O (449.1102634)


   
   

4-[(7-Oxo-7h-thiazolo[5,4-e]indol-8-ylmethyl)-amino]-n-pyridin-2-yl-benzenesulfonamide

4-[(7-Oxo-7h-thiazolo[5,4-e]indol-8-ylmethyl)-amino]-n-pyridin-2-yl-benzenesulfonamide

C21H15N5O3S2 (449.061628)


   

2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethanesulfonamide

2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethanesulfonamide

C17H24ClN3O5S2 (449.08458440000004)


   

5-O-(N-(L-Cysteinyl)-sulfamoyl)adenosine

5-O-(N-(L-Cysteinyl)-sulfamoyl)adenosine

C13H19N7O7S2 (449.0787344)


   

N-Hydroxy-1-(4-methoxyphenyl)sulfonyl-4-benzyloxycarbonyl-piperazine-2-carboxamide

N-Hydroxy-1-(4-methoxyphenyl)sulfonyl-4-benzyloxycarbonyl-piperazine-2-carboxamide

C20H23N3O7S (449.12566480000004)


   

(6-[4-(Aminomethyl)-2,6-dimethylphenoxy]-2-{[4-(aminomethyl)phenyl]amino}-5-bromopyrimidin-4-YL)methanol

(6-[4-(Aminomethyl)-2,6-dimethylphenoxy]-2-{[4-(aminomethyl)phenyl]amino}-5-bromopyrimidin-4-YL)methanol

C21H16BrN5O2 (449.0487296)


   

1-(5-Carboxypentyl)-5-[(2,6-dichlorobenzyl)oxy]-1 H-indole-2-carboxylic acid

1-(5-Carboxypentyl)-5-[(2,6-dichlorobenzyl)oxy]-1 H-indole-2-carboxylic acid

C22H21Cl2NO5 (449.07967160000004)


   

4-Nitrophenyl-(6-S-alpha-D-xylopyranosyl)-beta-D-glucopyranoside

4-Nitrophenyl-(6-S-alpha-D-xylopyranosyl)-beta-D-glucopyranoside

C17H23NO11S (449.0991768)


   

Cyanidin 3-glucoside

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium

C21H21O11+ (449.10838160000003)


Cyanidin 3-glucoside, also known as chrysanthenin or cyanidin 3-glucoside chloride (CAS: 7084-24-4), belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone. Cyanidin 3-glucoside is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, cyanidin 3-glucoside is found, on average, in the highest concentration within a few different foods, such as black elderberries, rubus (blackberry, raspberry), and bilberries and in a lower concentration in redcurrants, strawberries, and sweet oranges. Cyanidin 3-glucoside has also been detected, but not quantified in, several different foods, such as common pea, peaches, Tartary buckwheats, soft-necked garlic, and fats and oils. This could make cyanidin 3-glucoside a potential biomarker for the consumption of these foods. Cyanidin (and its glycosides) is the most commonly occurring of the anthocyanins, a widespread group of pigments responsible for the red-blue colour of many fruits and vegetables (PMID: 14711454). BioTransformer predicts that cyanidin 3-​glucoside is a product of cyanidin 3-​sophoroside metabolism via a glycoside-hydrolysis reaction occurring in human gut microbiota and catalyzed by the EC.3.2.1.X enzyme (PMID: 30612223). Found in many plants and fruits, e.g. cherries, olives and grapes

   

Cyanidin 3-O-alpha-L-galactoside

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C21H21O11+ (449.10838160000003)


Cyanidin 3-o-alpha-l-galactoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cyanidin 3-o-alpha-l-galactoside can be found in highbush blueberry, which makes cyanidin 3-o-alpha-l-galactoside a potential biomarker for the consumption of this food product.

   
   

3-C-glucosyl-2,4,4,6-tetrahydroxydibenzoylmethane

3-C-glucosyl-2,4,4,6-tetrahydroxydibenzoylmethane

C21H21O11- (449.10838160000003)


   

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-7-methylsulfanyl-N-sulfooxyheptanimidothioate

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-7-methylsulfanyl-N-sulfooxyheptanimidothioate

C14H27NO9S3 (449.0847892)


   

(2R,3S,4R,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3S,4R,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C21H21O11+ (449.10838160000003)


   

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-7-methylsulfanyl-N-sulfooxyheptanimidothioate

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-7-methylsulfanyl-N-sulfooxyheptanimidothioate

C14H27NO9S3 (449.0847892)


   

N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

C19H19N3O6S2 (449.0715234)


   

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1-naphthalenesulfonamide

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1-naphthalenesulfonamide

C19H13F6NO3S (449.05203000000006)


   

N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-furancarboxamide

N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-furancarboxamide

C23H20ClN5O3 (449.1254600000001)


   

5-(3-chlorophenyl)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-furancarboxamide

5-(3-chlorophenyl)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-furancarboxamide

C22H16ClN5O2S (449.07131860000004)


   

2-[[[3-Methyl-4-[[2-(3-nitrophenoxy)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acid

2-[[[3-Methyl-4-[[2-(3-nitrophenoxy)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acid

C23H19N3O7 (449.12229440000004)


   

2-[(4-Chlorophenyl)methylthio]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole

2-[(4-Chlorophenyl)methylthio]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole

C20H20ClN3O3S2 (449.06345600000003)


   

ethyl 5-bromo-3-[3-(3,3-dimethylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate

ethyl 5-bromo-3-[3-(3,3-dimethylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate

C21H28BrN3O3 (449.1313918000001)


   

5-(3-Bromophenyl)-2-furaldehyde [5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazone

5-(3-Bromophenyl)-2-furaldehyde [5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazone

C21H16BrN5O2 (449.0487296)


   

5-[[5-Benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[[5-Benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C22H16FN5OS2 (449.0780258)


   

2,3,4,4,6-pentahydroxychalcone 4-O-beta-D-glucoside(1-)

2,3,4,4,6-pentahydroxychalcone 4-O-beta-D-glucoside(1-)

C21H21O11- (449.10838160000003)


   

4-[4-(4-Methylphenyl)sulfonyl-1-piperidinyl]-2-thiophen-2-ylquinazoline

4-[4-(4-Methylphenyl)sulfonyl-1-piperidinyl]-2-thiophen-2-ylquinazoline

C24H23N3O2S2 (449.1231618)


   

7-methoxycrinamabine Trifluoroacetic acid

7-methoxycrinamabine Trifluoroacetic acid

C19H22F3NO8 (449.1297448)


A natural product found in Crinum asiaticum var. sinicum.

   
   

methyl 5-[(E)-[(4-chlorophenyl)carbamothioylhydrazinylidene]methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate

methyl 5-[(E)-[(4-chlorophenyl)carbamothioylhydrazinylidene]methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate

C19H14ClF2N5O2S (449.0524758000001)


   

3-[[4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]sulfonyl]benzonitrile

3-[[4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]sulfonyl]benzonitrile

C19H19N3O6S2 (449.0715234)


   

2-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester

2-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester

C19H19N3O6S2 (449.0715234)


   

N-[(2S,3R,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

N-[(2S,3R,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

C21H21Cl2N3O4 (449.09090460000004)


   

N-[(2R,3S,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

N-[(2R,3S,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

C21H21Cl2N3O4 (449.09090460000004)


   

N-[(2S,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

N-[(2S,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

C21H21Cl2N3O4 (449.09090460000004)


   

2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

C21H23NO8S (449.11443180000003)


   

2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

C21H23NO8S (449.11443180000003)


   

2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

C21H23NO8S (449.11443180000003)


   

N-[(2R,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

N-[(2R,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

C21H21Cl2N3O4 (449.09090460000004)


   

N-[(2S,3R,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

N-[(2S,3R,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

C21H21Cl2N3O4 (449.09090460000004)


   

N-[(2S,3S,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

N-[(2S,3S,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

C21H21Cl2N3O4 (449.09090460000004)


   

N-[(2R,3R,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

N-[(2R,3R,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

C21H21Cl2N3O4 (449.09090460000004)


   

2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

C21H23NO8S (449.11443180000003)


   

2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

C21H23NO8S (449.11443180000003)


   

2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

C21H23NO8S (449.11443180000003)


   

2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

C21H23NO8S (449.11443180000003)


   

4-(4-Bromobenzoyl)-5-pyridin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione

4-(4-Bromobenzoyl)-5-pyridin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione

C22H16BrN3O3 (449.03749660000005)


   

(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-hydroxy-5-(4-methylbenzoyl)-3-nitrophenoxy]oxane-2-carboxylic acid

(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-hydroxy-5-(4-methylbenzoyl)-3-nitrophenoxy]oxane-2-carboxylic acid

C20H19NO11 (449.0958064)


   

Cyanidin 3-O-galactoside

Cyanidin 3-O-beta-D-galactoside

C21H21O11+ (449.10838160000003)


An anthocyanin cation that is cyanidin(1+) carrying a single beta-D-galactosyl substituent at position 3.

   
   
   

λ-Cyhalothrin

Cyclopropanecarboxylicacid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-,(S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3R)-

C23H19ClF3NO3 (449.1005490000001)


D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals

   

2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C21H21O11+ (449.10838160000003)


   

cyanidin 3-O-beta-D-glucoside

cyanidin 3-O-beta-D-glucoside

C21H21O11 (449.10838160000003)


An anthocyanin cation that is a cyanidin cation linked to a beta-D-glucosyl moiety at position 3.

   

MK8722

MK8722

C24H20ClN3O4 (449.1142270000001)


MK8722 is a potent and systemic pan-AMPK activator.

   
   

2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2r,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2r,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

[C21H21O11]+ (449.10838160000003)


   

{[7-(methylsulfanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene]amino}oxysulfonic acid

{[7-(methylsulfanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene]amino}oxysulfonic acid

C14H27NO9S3 (449.0847892)


   

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

[C21H21O11]+ (449.10838160000003)


   

5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

[C21H21O11]+ (449.10838160000003)