Exact Mass: 449.1142270000001
Exact Mass Matches: 449.1142270000001
Found 74 metabolites which its exact mass value is equals to given mass value 449.1142270000001,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Cyanidin 3-glucoside
[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
Cyanidin 3-galactoside
[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
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
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
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
Crizotinib
Cyanidin 3-O-alpha-L-galactoside
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
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
C21H21O11 (449.10838160000003)
Petunidin 3-arabinoside
C21H21O11 (449.10838160000003)
Petunidin 3-o-alpha-L-arabinopyranoside
C21H21O11 (449.10838160000003)
Asterin
C21H21O11+ (449.10838160000003)
3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine
cyanidin-3-o-galactoside
[C21H21O11]+ (449.10838160000003)
Annotation level-1
Crizotinib
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
C21H21O11+ (449.10838160000003)
Cyclen
C21H21O11 (449.10838160000003)
Cyanidin 4'-glucoside
C21H21O11 (449.10838160000003)
Carnocin CP 5
C23H19N3O5S (449.1045364000001)
(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)
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
C21H21F2N3O4S (449.12207700000005)
Bictegravir
C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent
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
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].
1-bromo-3-(5,5-dimethyl-3-phenyl-4H-pyrazolo[4,3-a]carbazol-10-yl)-2-propanol
Cyanidin 3-glucoside
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
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
C21H21O11- (449.10838160000003)
(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)
2-[[[3-Methyl-4-[[2-(3-nitrophenoxy)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acid
C23H19N3O7 (449.12229440000004)
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
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
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
C21H23NO8S (449.11443180000003)
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
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
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
C21H23NO8S (449.11443180000003)
Cyanidin 3-O-galactoside
C21H21O11+ (449.10838160000003)
An anthocyanin cation that is cyanidin(1+) carrying a single beta-D-galactosyl substituent at position 3.
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
C21H21O11 (449.10838160000003)
An anthocyanin cation that is a cyanidin cation linked to a beta-D-glucosyl moiety at position 3.
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)
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
[C21H21O11]+ (449.10838160000003)