Exact Mass: 446.0456
Exact Mass Matches: 446.0456
Found 151 metabolites which its exact mass value is equals to given mass value 446.0456,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Paederoside
Paederoside is a glycoside. Paederoside is a natural product found in Pseudomegoura nipponica, Paederia scandens, and other organisms with data available. Paederoside is a monoterpene S-methyl thiocarbonate isolated from Paederia pertomentosa. Paederoside shows a high anti-tumor promoting activity against the Epstein-Barr virus activation[1]. Paederoside is a monoterpene S-methyl thiocarbonate isolated from Paederia pertomentosa. Paederoside shows a high anti-tumor promoting activity against the Epstein-Barr virus activation[1].
Baicalin
Baicalin is a flavone, a type of flavonoid. It is found in several species in the genus Scutellaria, including Scutellaria lateriflora (blue skullcap). There are 10 mg/g baicalin in Scutellaria galericulata (common skullcap) leaves. Baicalin is the glucuronide of baicalein. It is a component of Chinese medicinal herb Huang-chin (Scutellaria baicalensis) and one of the chemical ingredients of Sho-Saiko-To, an herbal supplement. Acquisition and generation of the data is financially supported in part by CREST/JST. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors Baicalin, as a flavonoid glycoside, is an allosteric carnitine palmityl transferase 1 (CPT1) activator. Baicalin reduces the expression of NF-κB[1][2][3]. Baicalin, as a flavonoid glycoside, is an allosteric carnitine palmityl transferase 1 (CPT1) activator. Baicalin reduces the expression of NF-κB[1][2][3].
CDP-ethanolamine
CDP-ethanolamine, also known as cytidine 5’-diphosphoethanolamine, belongs to the class of organic compounds known as CDP-ethanolamines. These are phosphoethanolamines that consist of an ethanolamine having a cytidine 5-diphosphate moiety attached to the oxygen. CDP-ethanolamine is a very strong basic compound (based on its pKa). In humans, CDP-ethanolamine is involved in phosphatidylethanolamine biosynthesis. Outside of the human body, CDP-ethanolamine has been detected, but not quantified in, several different foods, such as Chinese water chestnuts, buffalo currants, red huckleberries, eggplants, and brazil nuts. This could make CDP-ethanolamine a potential biomarker for the consumption of these foods. Cytidine is a molecule (known as a nucleoside) that is formed when cytosine is attached to a ribose ring (also known as a ribofuranose) via a beta-N1-glycosidic bond. [HMDB]. CDP-Ethanolamine is found in many foods, some of which are allspice, hedge mustard, wasabi, and green vegetables.
Cefuroxime sodium
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Apigenin
Apigenin 7-glucuronide is a member of flavonoids and a glucosiduronic acid. Apigenin 7-glucuronide is a natural product found in Galeopsis tetrahit, Galeopsis ladanum, and other organisms with data available. Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively. Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively.
Glucorhein
Glucorhein is found in green vegetables. Glucorhein is isolated from Rheum palmatum (Chinese rhubarb). Isolated from Rheum palmatum (Chinese rhubarb). Glucorhein is found in green vegetables. Rhein 8-Glucoside (Rhein 8-O-β-D-Glucopyranoside) is an anthraquinone glycoside that has been found in rhubarb. Purgative activity[1]. Rhein 8-Glucoside (Rhein 8-O-β-D-Glucopyranoside) is an anthraquinone glycoside that has been found in rhubarb. Purgative activity[1].
Apigenin 7-glucuronide
Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively. Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively.
6-{[2-(3,4-dihydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-6-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Mollicellin E
Mollicellin E is produced by Chaetomium species and mutagenic mycotoxin. Production by Chaetomium subspecies and mutagenic mycotoxin.
6-[4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Genistein 7-O-glucuronide
Genistein 7-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Genistein 4'-O-glucuronide
Genistein 4-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Genistein 5-O-glucuronide
Genistein 5-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Apigenin 7-glucuronide
Apigenin 7-o-glucuronide is a member of the class of compounds known as flavonoid-7-o-glucuronides. Flavonoid-7-o-glucuronides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. Apigenin 7-o-glucuronide is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Apigenin 7-o-glucuronide can be found in globe artichoke, which makes apigenin 7-o-glucuronide a potential biomarker for the consumption of this food product. Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively. Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively.
1-(4-Methanesulfonamidophenoxy)-3-(N-methyl-3,4-dichlorophenylethylamino)-2-propanol
D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators
Fluorescein thiohydantoin
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxyoxane-2-carboxylic acid
(2S,3S,4S,5R)-6-[4-(5,7-Dihydroxy-4-oxochromen-3-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Baicalin
Baicalin is the glycosyloxyflavone which is the 7-O-glucuronide of baicalein. It is an active ingredient of Chinese herbal medicine Scutellaria baicalensis. It has a role as a non-steroidal anti-inflammatory drug, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor, a prodrug, a plant metabolite, a ferroptosis inhibitor, a neuroprotective agent, an antineoplastic agent, a cardioprotective agent, an antiatherosclerotic agent, an antioxidant, an EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor, an anticoronaviral agent and an antibacterial agent. It is a glucosiduronic acid, a glycosyloxyflavone, a dihydroxyflavone and a monosaccharide derivative. It is functionally related to a baicalein. It is a conjugate acid of a baicalin(1-). Baicalin is a natural product found in Scutellaria amoena, Thalictrum baicalense, and other organisms with data available. See also: Scutellaria baicalensis Root (part of). The glycosyloxyflavone which is the 7-O-glucuronide of baicalein. It is an active ingredient of Chinese herbal medicine Scutellaria baicalensis. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors Baicalin, as a flavonoid glycoside, is an allosteric carnitine palmityl transferase 1 (CPT1) activator. Baicalin reduces the expression of NF-κB[1][2][3]. Baicalin, as a flavonoid glycoside, is an allosteric carnitine palmityl transferase 1 (CPT1) activator. Baicalin reduces the expression of NF-κB[1][2][3].
Norwogonin 7-glucuronide
Glychionide A is a flavonoside that can be found in the roots of Glychirriza glabra. Glychionide A promotes apoptosis and autophagy of PANC-1 pancreatic cancer cells. Glychionide A can be used for the research of cancer[1][2].
4-beta-D-Glucopyranosyloxy-5-hydroxy-9,10-dioxo-9,10-dihydro-anthracen-2-carbonsaeure|4-beta-D-glucopyranosyloxy-5-hydroxy-9,10-dioxo-9,10-dihydro-anthracene-2-carboxylic acid|4-O-beta-D-Glucopyranosyl-rhein
methyl (Z)-18,18-dibromooctadeca-5,17-dien-7-ynoate
rhein-11-O-beta-D-glucoside|Rhein-acyl-beta-D-glucopyranosid
(1R*,3S*,4S*,5R*,8S*,9S*,12R*,13S*,14S*)-8,14-dibromo-5,9-dimethyl-13-(1-methylethyl)tetracyclo[10.2.1.0(3,12).0(4,9)]pentadecan-5-ol|(3S*)-3-bromo-1-deoxybromotetrasphaerol
1,3,9-trihydroxycoumestan-1-O-beta-glucopyranoside|hedysarimcoumestan C
apigenin 7-O-glucuronide|Scutellarein-7-O-beta-D-Glucuronid (Scutellarin)
Glychionide A
Glychionide A is a natural product found in Glycyrrhiza glabra with data available. See also: Glycyrrhiza Glabra (part of). Glychionide A is a flavonoside that can be found in the roots of Glychirriza glabra. Glychionide A promotes apoptosis and autophagy of PANC-1 pancreatic cancer cells. Glychionide A can be used for the research of cancer[1][2].
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Apigenin 7-O-glucuronide
Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively. Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively.
Paederoside
Paederoside is a monoterpene S-methyl thiocarbonate isolated from Paederia pertomentosa. Paederoside shows a high anti-tumor promoting activity against the Epstein-Barr virus activation[1]. Paederoside is a monoterpene S-methyl thiocarbonate isolated from Paederia pertomentosa. Paederoside shows a high anti-tumor promoting activity against the Epstein-Barr virus activation[1].
Tioclomarol
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
CDP-ethanolamine
A phosphoethanolamine consisting of ethanolamine having a cytidine 5-diphosphate moiety attached to the oxygen.
Apigenin 7-glucuronide
Apigenin 7-glucuronide is a member of the class of compounds known as flavonoid-7-o-glucuronides. Flavonoid-7-o-glucuronides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. Apigenin 7-glucuronide is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Apigenin 7-glucuronide can be found in common sage and dill, which makes apigenin 7-glucuronide a potential biomarker for the consumption of these food products. Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively. Apigenin-7-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 12.87, 22.39, 17.52, 0.27 μM for MMP-3, MMP-8, MMP-9, MMP-13, respectively.
Glucorein
Rhein 8-Glucoside (Rhein 8-O-β-D-Glucopyranoside) is an anthraquinone glycoside that has been found in rhubarb. Purgative activity[1]. Rhein 8-Glucoside (Rhein 8-O-β-D-Glucopyranoside) is an anthraquinone glycoside that has been found in rhubarb. Purgative activity[1].
Mollicellin E
A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by a chloro group at position 2, hydroxy groups at positions 3 and 9, a methoxy group at position 8, methyl groups at positions 1 and 6, a 3-methylbut-2-enoyl group at position 7, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense, it exhibits antimalarial and cytotoxic activities.
Genistein 4'-O-glucuronide
Genistein 5-O-glucuronide
Genistein 7-O-glucuronide
disodium 2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzoate
3-(2-oxy-ethyl)-2-[3-(3-(2-oxy-ethyl)-2-benzothiazolinylidene)-2-methyl-1-propenyl)] benzothiazolium chloride
cyclopenta-1,3-diene,1-methyl-4-propan-2-ylbenzene,ruthenium(2+),hexafluorophosphate
6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
4-bromobutyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
9-[2,3,5-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL]-2,6-DICHLOROPURINE
ceftibuten dihydrate
C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Phosphonium,[(2-methylphenyl)methyl]triphenyl-, bromide
Ferrous gluconate
B - Blood and blood forming organs > B03 - Antianemic preparations > B03A - Iron preparations > B03AA - Iron bivalent, oral preparations D006401 - Hematologic Agents > D006397 - Hematinics
(S)-2-Chloro-N-(1-(2-(2-Hydroxyethylamino)-2-Oxoethyl)-2-Oxo-1,2,3,4-Tetrahydroquinolin-3-Yl)-6h-Thieno[2,3-B]pyrrole-5-Carboxamide
4,5-dihydroxy-9,10-dioxo-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid
3,4,5-Trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxyoxane-2-carboxylic acid
N-[4-(difluoromethylthio)phenyl]-5-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-2-imino-3-pyrancarboxamide
4-bromo-N-((1E)-{3-[(4-chloro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylene)benzohydrazide
3,5-Bis[[2-(4-fluorophenyl)-2-oxoethyl]thio]-4-isothiazolecarbonitrile
[(Z)-[Amino-(4-nitrophenyl)methylidene]amino] 1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxylate
(1S,5R)-3-[2-chloro-4-(methylsulfonyl)benzoyl]-4-(phenylthio)bicyclo[3.2.1]oct-3-en-2-one
[3-(8,8-Dimethyl-2-oxopyrano[2,3-]chromen-3-yl)-2-hydroxy-6-methoxyphenyl] hydrogen sulate
6-[(2S,3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
(3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
1-(4-Methanesulfonamidophenoxy)-3-(N-methyl-3,4-dichlorophenylethylamino)-2-propanol
D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators
(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid
4-hydroxy-9,10-dioxo-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}anthracene-2-carboxylic acid
5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl (2s,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
(1r,9r,13z,21s)-17-bromo-21-chloro-20,20-dimethyl-2,12,16,18-tetraazapentacyclo[10.10.0.0¹,⁹.0³,⁸.0¹⁵,¹⁹]docosa-3,5,7,13,15(19),16-hexaen-11-one
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid
(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(2-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid
4,5-dihydroxyanthraquinone-2-carboxylic acid; beta-d-glucopyranosyl ester
{"Ingredient_id": "HBIN010020","Ingredient_name": "4,5-dihydroxyanthraquinone-2-carboxylic acid; beta-d-glucopyranosyl ester","Alias": "NA","Ingredient_formula": "C21H18O11","Ingredient_Smile": "NA","Ingredient_weight": "446.36","OB_score": "NA","CAS_id": "67565-95-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7914","PubChem_id": "NA","DrugBank_id": "NA"}
apigenin-4'-o-glucuronide
{"Ingredient_id": "HBIN016415","Ingredient_name": "apigenin-4'-o-glucuronide","Alias": "NA","Ingredient_formula": "C21H18O11","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1493","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
apigenin-7-o-β-d-glucuronide
{"Ingredient_id": "HBIN016457","Ingredient_name": "apigenin-7-o-\u03b2-d-glucuronide","Alias": "Apigenin-7-O-\u03b2-D- glucuronide","Ingredient_formula": "C21H18O11","Ingredient_Smile": "C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14333","TCMID_id": "35918;1494","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
apigenin-7-O-glucuronide
{"Ingredient_id": "HBIN016475","Ingredient_name": "apigenin-7-O-glucuronide","Alias": "NA","Ingredient_formula": "C21H18O11","Ingredient_Smile": "C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O","Ingredient_weight": "446.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33739","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12912214","DrugBank_id": "NA"}
Baicalein-6-glucuronide
{"Ingredient_id": "HBIN017509","Ingredient_name": "Baicalein-6-glucuronide","Alias": "AC1NT0JG; 5,7-Dihydroxyflavone-6-yl beta-D-glucopyranosiduronic acid; (2S,3S,4S,5R,6S)-6-[(5,7-dihydroxy-4-oxo-2-phenyl-6-chromenyl)oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid; baicalein-6-glucuronide; (2S,3S,4S,5R,6S)-6-(5,7-dihydroxy-4-keto-2-phenyl-chromen-6-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; (2S,3S,4S,5R,6S)-6-(5,7-dihydroxy-4-oxo-2-phenyl-chromen-6-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; (2S,3S,4S,5R,6S)-6-(5,7-dihydroxy-4-oxo-2-phenyl-chromen-6-yl)oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid; (2S,3S,4S,5R,6S)-6-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid","Ingredient_formula": "C21H18O11","Ingredient_Smile": "C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O","Ingredient_weight": "446.4 g/mol","OB_score": "38.71774008","CAS_id": "NA","SymMap_id": "SMIT01155","TCMID_id": "2104","TCMSP_id": "MOL013061","TCM_ID_id": "NA","PubChem_id": "44258405","DrugBank_id": "NA"}
