Exact Mass: 420.0755
Exact Mass Matches: 420.0755
Found 263 metabolites which its exact mass value is equals to given mass value 420.0755,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bismurrayaquinone A
Bismurrayaquinone A is found in herbs and spices. Bismurrayaquinone A is an alkaloid from roots of Murraya koenigii (curryleaf tree). Alkaloid from roots of Murraya koenigii (curryleaf tree). Bismurrayaquinone A is found in herbs and spices.
Doripenem
Doripenem (common name doripenem monohydrate) is an ultra-broad spectrum injectable antibiotic. It is a beta-lactam and belongs to the subgroup of carbapenems. It was launched by Shionogi Co. of Japan under the brand name Finibax in 2005 and is being marketed outside Japan by Johnson & Johnson. It is particularly active against Pseudomonas aeruginosa. Doripenem is a beta-lactam antibiotic agent belonging to the carbapenem group, with a broad spectrum of bacterial sensitivity. Although doripenem may be quite similar to other related carbapenem agents, the antibiotic includes several divergent properties. For example, doripenem includes a transfiguration of hydroxyethyl group, and in position 4 there is a carbon atom. These differences make the agent more stable against other pathogens. Doripenem inhibits renal dehydropeptidase-1 hydrolysis due to its structure containing a single side chain, 1-beta methyl. Additionally, within the molecular structure a sulfamoylaminomethyl-pyrrolindinylthio group is attached to a side chain giving the molecule increased antibacterial action against gram-negative microbes. In vivo, doripenem inhibits the synthesis of cell walls by attaching itself to penicillin binding proteins, also known as PBPs. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DH - Carbapenems 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
Flurbiprofen glucuronide
Flurbiprofen glucuronide is a metabolite of flurbiprofen. Flurbiprofen is a member of the phenylalkanoic acid derivative family of non-steroidal anti-inflammatory drugs (NSAIDs) used to treat the inflammation and pain of arthritis. It is known by the following tradenames: Urbifen marketed by General Pharmaceuticals, Ansaid, marketed by Pfizer, Flurwood by W. Woodward and Froben, by Abbott. Flurbiprofen is also used as an active ingredient in some kinds of throat lozenges. (Wikipedia)
Sulfinpyrazone sulfone
Sulfinpyrazone sulfone is a metabolite of sulfinpyrazone. Sulfinpyrazone is a uricosuric medication used to treat gout. It also sometimes is used to reduce platelet aggregation by inhibiting degranulation of platelets which reduces the release of ADP and thromboxane. Like other uricosurics, sulfinpyrazone works by competitively inhibiting uric acid reabsorption in the proximal tubule of the kidney. (Wikipedia)
Urolithin C 3-glucuronide
Urolithin C 3-glucuronide belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. BioTransformer predicts that urolithin C 3-glucuronide is a product of urolithin C metabolism via an aromatic-OH-glucuronidation reaction catalyzed by the UDP-glucuronosyltransferase 1-1 (P22309) enzyme (PMID: 30612223).
Darglitazone
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent Darglitazone (CP-86325), a thiazolidinedione, is a potent, selective, and orally active PPAR-γ agonist. Darglitazone is effective in controlling blood glucose and lipid metabolism, and can be used for type II diabetes research[1].
Etofylline clofibrate
Netobimin
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
10-Chloro-1-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
4-Hydroxy-5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]-3H-1,3-thiazol-2-one
4-methylthiobutyl glucosinolate
4-methylthiobutyl glucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-methylthiobutyl glucosinolate can be found in a number of food items such as arrowroot, ohelo berry, winged bean, and buffalo currant, which makes 4-methylthiobutyl glucosinolate a potential biomarker for the consumption of these food products.
5-O-methylhoslundin
3-Demethyldigicitrin
Glabratephrin
5,5,7-trihydroxy-2,3,4,6,8-pentamethoxyflavone|5,7,5-trihydroxy-3,6,8,2,4-pentamethoxyflavone
cassiaside|nor-rubrofusarin-6-O-beta-D-glucopyranoside
5,4-dihydroxy-7-(4-hydroxybenzoyl)-3-methoxyflavone|7-{(4-hydroxybenzoyl)chrysoeriol}|cinerascenone
N-Phenyl-N-(4-D-glucosidurono-phenyl)-thioharnstoff|N-Phenyl-N-<4-D-glucosidurono-phenyl>-thioharnstoff|N-Phenyl-N-<4-hydroxy-phenyl>-thioharnstoff-glucuronid|O1-[4-(N-phenyl-thioureido)-phenyl]-beta-D-glucopyranuronic acid|O1-[4-(N-Phenyl-thioureido)-phenyl]-beta-D-glucopyranuronsaeure
5-O-(beta-D-glucopyranosyl)-6-O-benzoyl-2,5-dihydroxybenzoic acid|shomaside F
5-Hydroxy-3-methoxy-1-O-beta-D-glucopyranosylxanthone
3-((3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
Cassiaside2,3,4-Trihydroxy-3,5-dimethoxypropiophenoneGinsenoside Rg4Methyl dihydrojasmonate1-Dehydroxy-23-deoxojessic acidMalvidin-3-galactoside chlorideTropine4,5-Dioxodehydroasimilobine(2R,3R)-3,7-Dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-en-1-yl)chroman-4-one
Cassiaside is a naphthopyrone glucoside, shows mixed-type inhibition against BACE1 (IC50=4.45 μM; Ki=9.85 μM). Cassiaside possesses potential anti- Alzheimer's disease (AD) activity[1]. Cassiaside is a naphthopyrone glucoside, shows mixed-type inhibition against BACE1 (IC50=4.45 μM; Ki=9.85 μM). Cassiaside possesses potential anti- Alzheimer's disease (AD) activity[1].
Asp Asp Asp Gly
Asp Asp Gly Asp
Asp Gly Asp Asp
Gly Asp Asp Asp
Bismurrayaquinone A
doripenem
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DH - Carbapenems 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
2-(4-(8-BROMO-3-METHYL-2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-C]QUINOLIN-1-YL)PHENYL)-2-METHYLPROPANENITRILE
HCV-086
Benzeneacetic acid, a-(2,4-dinitrophenyl)-2,4-dinitro-,ethyl ester
3-Isopropoxy-5-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl] benzaldehyde
N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)azo]-3-oxobutyramide
etofylline clofibrate
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D020011 - Protective Agents > D000975 - Antioxidants D009676 - Noxae > D000963 - Antimetabolites D011838 - Radiation-Sensitizing Agents
1,4-Bis(bromomethyl)-2-methoxy-5-(2-ethylhexyloxy)benzene
2,2,4,6,6,8-hexamethyl-4,8-diphenyl-1,3,5,7,2,4,6,8-tetraoxatetra silocane
7-Benzenesulfonyl-5-bromo-4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
2,2-[[4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]imino]bisethanol
Tiflamizole
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
L-METHIONINE 4-METHYL-7-COUMARINYLAMIDE TRIFLUOROACETATE
5-(4-TERT-BUTYLBENZYLTHIO)-2-(3-CHLOROBENZYLTHIO)-1,3,4-THIADIAZOLE
2-ethyl-6-hydroxy-5-[(2-methoxy-4-nitrophenyl)azo]-1H-benz[de]isoquinoline-1,3(2H)-dione
CHLORO(CYCLOPENTADIENYL)(TRIPHENYLPHOSPHINE)NICKEL(II)
3,3-Methylenebis(1-tert-butyl-3-imidazolium Bromide)
3-(1,4,7,10-Tetraazacyclododec-1-yl)-1,2,4-butanetriol hydrochloride (1:4)
N-[(1R,2R)-2-aMino-1,2-diphenylethyl]-4-(trifluoroMethyl)-BenzenesulfonaMide
4-chloro-6-(6-(trifluoromethyl)pyridin-2-yl)-N-(2-(trifluoromethyl)pyridin-4-yl)-1,3,5-triazin-2-amine
(S)-Flurbiprofen-acyl-beta-D-glucuronide min. 98\\%
(4E)-4-[[4-[(E)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-nitrophenyl)azo]-3-oxobutyramide
7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecan-1-ol
Flurbiprofen Acyl-β-D-glucuronide (Mixture of Diastereomers)
(2r)-N-Hydroxy-3-Naphthalen-2-Yl-2-[(Naphthalen-2-Ylsulfonyl)amino]propanamide
Staphcillin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
5-[(3,3-Dimethyl-2-oxido-1-triazen-1-yl)oxy]-2,4-dinitrophenyl 4-(methylamino)benzoate
5-(4-morpholinylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]-2-furancarboxamide
4-[5-[3-(Methylsulfonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzenepropanoic acid
netobimin
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
10-Chloro-1-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
alpha,alpha-Trehalose 6-phosphate(2-)
D004791 - Enzyme Inhibitors
6-O-phosphonato-beta-D-fructofuranosyl alpha-D-glucopyranoside
beta-D-fructofuranosyl alpha-D-mannopyranoside 6(F)-phosphate(2-)
(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-1-ium-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
6-phosphonato-beta-D-glucosyl-(1->4)-D-glucose(2-)
(1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl phosphate
alpha-D-glucopyranosyl-(1->3)-D-fructose 6-phosphate
(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5,6-dihydroxy-2-methyl-4-sulfooxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
(2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5,6-dihydroxy-2-methyl-4-sulfooxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
[(Z)-[5-methylsulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpentylidene]amino] sulfate
4-[[5-Chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide
[3-Amino-6-(4-methoxyphenyl)-2-thieno[2,3-b]pyridinyl]-(3,4-dimethoxyphenyl)methanone
1-(2-Fluorophenyl)-1-cyclopentanecarboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester
3-[[[4-(4-Methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzoic acid
1-(4-Fluorophenyl)-1-cyclopentanecarboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester
(2S)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester
4-(4-morpholinylsulfonyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
2,5-dimethoxy-N-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]benzenesulfonamide
2-[(3-cyano-6-methoxy-2-quinolinyl)thio]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
2-amino-N-[3-methoxy-5-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl]-5-oxazolecarboxamide
2-[[Cyclohexyl(oxo)methyl]amino]acetic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester
(2S,3S,4S,5R,6S)-6-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
2-[3-[(2-Chlorophenyl)methyl]-2-imino-1-benzimidazolyl]-1-(4-nitrophenyl)ethanone
2,5-anhydro-3-O-(2-O-sulfo-alpha-L-idopyranuronosyl)-D-glucitol
2-[5-[(E)-[2-Imino-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
[4-[1-Hydroxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)propyl]phenyl] hydrogen sulate
3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
2-[3-[(2R)-5-[(6-bromo-1H-indol-3-yl)methyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine
2-[(2S,3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]-1,3,6,7-tetrahydroxyxanthen-9-one
(4S,5R,6R)-6-[(1S)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
alpha,alpha-Trehalose 6-phosphate(2-)
Dianion of alpha,alpha-trehalose 6-phosphate.
sucrose 6(F)-phosphate(2-)
Dianion of sucrose 6(F)-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.
Lactose 6-phosphate(2-)
An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of lactose 6-phosphate; major species at pH 7.3.
alpha-Maltose 6-phosphate(2-)
Dianion of maltose 6-phosphate arising from deprotonation of both OH groups of the phosphate.
Glucoerucin(1-)
A thia-alkylglucosinolate that has a 4-(methylsulfanyl)butyl side chain attached to the sulfonated oxime group.
sucrose 6(G)-phosphate(2-)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of sucrose 6(G)-phosphate; major species at pH 7.3.
mannose-1D-myo-inositol 1-phosphate(2-)
A phosphate monoester dianion obtained by deprotonation of the phosphate OH groups of mannose-1D-myo-inositol 1-phosphate; major species at pH 7.3.
AMPK activator 13
AMPK activator 13 is a potent activator of AMPK. AMPK activator 13 inhibits mitotic clonal expansion of 3T3-L1 cells by activating AMPK pathway and enhances cell mitochondrial oxygen consumption rate. AMPK activator 13 can be used in study obesity[1].
AMPK activator 4
AMPK activator 4 is a potent AMPK activator without inhibition of mitochondrial complex I. AMPK activator 4 selectively activates AMPK in the muscle tissues. AMPK activator 4 dose-dependently improves glucose tolerance in normal mice, and significantly lowers fasting blood glucose level and ameliorates insulin resistance in db/db diabetic mice. Anti-hyperglycemic effect[1].
KRAS G12D inhibitor 14
KRAS G12D inhibitor 14 is a potent KRAS G12D inhibitor with a KD of 33 nM for binding to KRAS G12D protein. KRAS G12D inhibitor 14 decreases the active form of KRAS G12D (KRAS G12D-GTP) but not KRAS G13D[1].
SirReal2
SirReal2 is a potent, isotype-selective Sirt2 inhibitor with an IC50 value of 140?nM and has very little effect on the activities of Sirt3-5. SirReal2 leads to tubulin hyperacetylation in HeLa cells and induces destabilization of the checkpoint protein BubR1[1].
10-acetyl-21-hydroxy-6,6,17,17-tetramethyl-7,12,18-trioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(21),3,5(9),10,13,15,19-heptaene-2,8-dione
1,3-dihydroxy-7-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
3-(3-carboxy-2-hydroxy-4-methoxy-6-methylbenzoyloxy)-5-formyl-4,6-dihydroxy-2-methylbenzoic acid
(2s,3r,4r,5s)-5-[2-(3,5-dihydroxybenzoyl)-3-hydroxyphenoxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl acetate
(4'r,9s)-5',5'-dimethyl-2',4-dioxo-2-phenyl-8h-spiro[furo[2,3-h]chromene-9,3'-oxolan]-4'-yl acetate
(1s,12as,13r,14r,15ar)-1-ethyl-13-hydroxy-14-iodo-1h,4h,5h,6h,7h,8h,9h,10h,12ah,13h,14h,15h,15ah-cyclopenta[c]oxacyclotetradecan-3-one
1,6-di-o-p-hydroxybenzoyl-β-d-glucopyra-noside
{"Ingredient_id": "HBIN001887","Ingredient_name": "1,6-di-o-p-hydroxybenzoyl-\u03b2-d-glucopyra-noside","Alias": "NA","Ingredient_formula": "C20H20O10","Ingredient_Smile": "C1=CC(=CC=C1C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC=C(C=C3)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5766","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,7,4'-trihydroxy dihydroflavonol-3-o-α-l-arabinofuranoside
{"Ingredient_id": "HBIN011234","Ingredient_name": "5,7,4'-trihydroxy dihydroflavonol-3-o-\u03b1-l-arabinofuranoside","Alias": "NA","Ingredient_formula": "C20H20O10","Ingredient_Smile": "C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21690","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acetylannulatophenonoside
{"Ingredient_id": "HBIN014448","Ingredient_name": "acetylannulatophenonoside","Alias": "NA","Ingredient_formula": "C20H20O10","Ingredient_Smile": "CC(=O)OC1C(OC(C1O)OC2=CC=CC(=C2C(=O)C3=CC(=CC(=C3)O)O)O)CO","Ingredient_weight": "420.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "321","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102463820","DrugBank_id": "NA"}
