Exact Mass: 414.0771
Exact Mass Matches: 414.0771
Found 241 metabolites which its exact mass value is equals to given mass value 414.0771,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Asperuloside
Asperuloside is a iridoid monoterpenoid glycoside isolated from Galium verum. It has a role as a metabolite. It is an iridoid monoterpenoid, a beta-D-glucoside, a monosaccharide derivative, an acetate ester and a gamma-lactone. Asperuloside is a natural product found in Lasianthus curtisii, Galium spurium, and other organisms with data available. See also: Galium aparine whole (part of). A iridoid monoterpenoid glycoside isolated from Galium verum. Asperuloside is an iridoid isolated from Hedyotis diffusa, with anti-inflammatory activity. Asperuloside inhibits inducible nitric oxide synthase (iNOS), suppresses NF-κB and MAPK signaling pathways[1]. Asperuloside is an iridoid isolated from Hedyotis diffusa, with anti-inflammatory activity. Asperuloside inhibits inducible nitric oxide synthase (iNOS), suppresses NF-κB and MAPK signaling pathways[1].
Pyrazosulfuron-ethyl
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Nafcillin
Nafcillin is only found in individuals that have used or taken this drug. It is a semi-synthetic antibiotic related to penicillin. [PubChem]Penicillinase-resistant penicillins exert a bactericidal action against penicillin-susceptible microorganisms during the state of active multiplication. All penicillins inhibit the biosynthesis of the bacterial cell wall. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CF - Beta-lactamase resistant penicillins 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 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3206
(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate
This compound belongs to the family of N-acyl-alpha Amino Acids and Derivatives. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.
Sulbenicillin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum 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 A penicillin antibiotic having a 6beta-[phenyl(sulfo)acetamido] side-chain. Same as: D08534 C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Vorasidenib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C137826 - Isocitrate Dehydrogenase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent Vorasidenib (AG-881) is an orally available, brain penetrant second-generation dual mutant isocitrate dehydrogenases 1 and 2 (mIDH1/2) inhibitor. Vorasidenib (AG-881) exhibits nanomolar inhibition of (D)-2-hydroxyglutarate (D-2-HG), and the IC50 ranges of 0.04~22 nM against IDH1 R132C, IDH1 R132G, IDH1 R132H and IDH1 R132S and 7~14 nM against IDH2 R140Q and 130 nM against IDH2 R172K[1][2].
6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4'-O-glucuronide
5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4-O-glucuronide is a conjugate of 5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5'-O-glucuronide
5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5-O-glucuronide is a conjugate of 5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
Apratastat
Asperuloside
alpha-Sulfobenzylpenicillin
Talniflumate
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Temocillin
3'-Deoxyderhamnosylmaysin
3-deoxyderhamnosylmaysin is a member of the class of compounds known as flavonoid c-glycosides. Flavonoid c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. 3-deoxyderhamnosylmaysin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 3-deoxyderhamnosylmaysin can be found in corn, which makes 3-deoxyderhamnosylmaysin a potential biomarker for the consumption of this food product.
pinnatifinoside A
Sphagnorubin C
N-Fructoryl cysteinylalanine + C2H5S
Annotation level-3
(2R,3S,4R)-3,3,4,5,7-Pentahydroxy-4-(2,4,6-trihydroxyphenyl)flavan
4beta-(chloromethyl)-3beta,4alpha-dihydroxy,8alpha-[(S)-2-carboxypropionyloxy]-1alphaH,5alphaH,6betaH,7alphaH-guaia-10(14),11(13)-dien-6,12-olide
6-(1-O-alpha-L-rhamano-pyranosyloxycarbonyl)-phenazine-1-dicarboxylic acid ester|izuminoside C
Asperuloside
Asperuloside is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Asperuloside is soluble (in water) and a very weakly acidic compound (based on its pKa). Asperuloside can be found in bilberry, which makes asperuloside a potential biomarker for the consumption of this food product. Asperuloside is an iridoid isolated from Hedyotis diffusa, with anti-inflammatory activity. Asperuloside inhibits inducible nitric oxide synthase (iNOS), suppresses NF-κB and MAPK signaling pathways[1]. Asperuloside is an iridoid isolated from Hedyotis diffusa, with anti-inflammatory activity. Asperuloside inhibits inducible nitric oxide synthase (iNOS), suppresses NF-κB and MAPK signaling pathways[1].
chaetoviridin E
An azaphilone that is 6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a chloro group at position 5, a methyl group at position 6a, a 2-methylbut-2-enoyl group at position 9 and a 3-methylpent-1-en-1-yl group at position 3. It has been isolated from Chaetomium globosum.
(2R)-1-O-[hydroxy-((R)-2,3-dihydroxy-propyloxy)-phosphinoyl]-4-O-phosphono-myo-inositol|(2R)-1-O-[Hydroxy-((R)-2,3-dihydroxy-propyloxy)-phosphinyl]-4-O-phosphono-myo-inosit|Phosphorsaeure-((R)-2,3-dihydroxy-propylester)-((2R)-2c,3c,5c,6t-tetrahydroxy-4t-phosphonooxy-cyclohexyl-(1r)-ester)
chafuroside A
4-(cystein-S-yl)butyl desulfo-glucosinolate|glucorucolamine
SCHEMBL9266494
C19H18N4O7_9H-Purin-6-ol, 9-[1-(3-carboxyphenyl)-2,3-dideoxyheptodialdo-7,4-furanosyl]
3-[3-[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]propanoyl]benzoic acid
3-[3-[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]propanoyl]benzoic acid_major
4-Chloro-N1-methyl-N1-(4-carboxy-2-hydroxy-2-methylbutyl)-m-benzenedisulfonamide
Cys Cys Cys Ser
Cys Cys Ser Cys
Cys Ser Cys Cys
Ser Cys Cys Cys
4,6-Bis(benzylsulfanyl)-2-(methylsulfanyl)-5-pyrimidinecarboxylic acid
Lariam
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
1-diphenylphosphoryl-3,5-bis(trifluoromethyl)benzene
2-[4-(hydrazinecarbonyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
2-Methylpropyl N-(2-chloropyridine-3-sulfonyl)-N-(3-Methoxy-5-Methylpyrazin-2-yl)carbamate
Pyrido[2,3-d]pyrimidine-6-carboxaldehyde,5-azido-1,2,3,4,7,8-hexahydro-8-methyl-2,4,7-trioxo-1,3-diphenyl-
temocillin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum 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-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide
Pazufloxacin mesylate
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
5-BROMO-3-INDOLYL-2-ACETAMIDO-2-DEOXY-β-D-GLUCOPYRANOSE
[2,3,5,6-Tetrafluoro-4-(methoxymethyl)phenyl]methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-carboxylate
4-Chloro-N-(4-chlorobenzoyl)-N-(4-methoxyphenyl)benzohydrazide
Monomethylauristatin D
(2-Methoxy-2-oxoethyl)triphenylphosphonium bromide
1-[3,6-bis[4-(trifluoromethyl)phenyl]-1H-1,2,4,5-tetrazin-2-yl]ethanone
ethyl 5-(4-cyanophenoxy)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate
7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, methanesulfonate (1:1)
Apratastat
C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C1970 - Matrix Metalloproteinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
1,2-Anthracenedicarboxylic acid, 7-acetyl-6-ethyl-9,10-dihydro-3,5,8-trihydroxy-9,10-dioxo-
Iodophenpropit
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists
Rubrorotiorin
An azaphilone that is 6,6a-dihydro-8H-furo[2,3-h]isochromen-6,8(6aH)-dione substituted by an acetyl group at position 9, a chloro group a position 5, a 3,5-dimethylhepta-1,3-dien-1-yl group at position 3 and a methyl group at position 6a. Isolated from Chaetomium cupreum, it exhibits antifungal activity.
[2-(5-Mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-1-phenyl-ethyl]-carbamic acid benzyl ester
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors
[5-Fluoro-2-({[(4,5,7-trifluoro-1,3-benzothiazol-2-YL)methyl]amino}carbonyl)phenoxy]acetic acid
2-[[4-Carboxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;iron(4+)
Talniflumate
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
2-acetyl-3,4a,10,11,12a-pentahydroxy-8-methoxy-4a,12a-dihydrotetracene-1,12(4H,5H)-dione
validoxylamine A 7-phosphate(1-)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups and protonation of the amino group of validoxylamine A 7-phosphate; major species at pH 7.3.
4-methylumbelliferyl-phospho-beta-D-glucopyranoside
(4aR,12aR)-1,4a,10,11,12a-pentahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracene-2-carboxamide
(1R,2R,4S)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid
6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
N-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
2-(3,4-dimethoxyphenyl)-8-methoxy-4,4-dimethyl-5H-isothiazolo[5,4-c]quinoline-1-thione
methyl [(6R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-fluorophenyl)-5-methyl-4-oxazolyl]methylthio]acetamide
2-[(5-Bromo-1,3-benzoxazol-2-yl)amino]-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
N-(3-dibenzofuranyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide
5-[5-(2,3-Dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
4-(4-Acetylphenoxy)butanoic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester
1-[[(4-Ethoxyanilino)-sulfanylidenemethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea
[2-({3-[(2-Hydroxybenzylidene)amino]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetic acid
1-(2,4-Dinitroanilino)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
N-(5-methyl-3-isoxazolyl)-2-[(6-methyl-4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]acetamide
4-(3,5-dichloro-4-pyridinyl)-N-(1-naphthalenyl)-1,4-diazepane-1-carboxamide
2-Amino-4-[(4-bromophenyl)methylthio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
3-[4-Oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-thieno[3,2-d]pyrimidinyl]propanoic acid
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-furanylsulfonyl)piperazine
4-(benzenesulonyl)-N-(2-oxoazepan-3-yl)thiophene-2-sulonamide
(5R,6R)-6-[[(2-ethoxy-1-naphthalenyl)amino]-oxomethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
1-[(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone
1-[(3aR,4S,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone
1-[(3aS,4S,9bR)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone
4-[[5-(4-Fluorophenyl)-3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile
(2S,5S,6R)-6-[[(2-ethoxy-1-naphthalenyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-2-fluorobenzamide
3,4,5-Trihydroxy-6-(4-oxo-2-phenylchromen-3-yl)oxyoxane-2-carboxylic acid
6-[[6-[(E)-2-carboxyethenyl]-4-methoxy-1,3-benzodioxol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
S-[2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethyl] propanethioate
(11S,13R,14S,15S,16R)-9,14,15-trihydroxy-13-(hydroxymethyl)-5-(4-hydroxyphenyl)-4,12,17-trioxatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,5,8-tetraen-7-one
1,2-DI(Deuterioethynyl)-1,1,2,2-tetraphenyl-disilane
(2R,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
nafcillin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CF - Beta-lactamase resistant penicillins 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
Pyrazosulfuron-ethyl
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate
A cephalosporin having an acetoxy group at the 3-position and a 5-carboxy-5-oxopentanamido group at the 7-position.
BMS-192548
A member of the class of tetracyclines with formula C21H18O9, originally isolated from Aspergillus niger.
5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4-O-glucuronide
5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5-O-glucuronide
2-(glutathion-S-yl)-1,4-hydroquinone(1-)
An S-substituted glutathione(1-) obtained by deprotonation of the the two carboxy groups and protonation of the amino group of 2-(glutathion-S-yl)hydroquinone; major species at pH 7.3.
(S)-BAY 2965501
(S)-BAY 2965501 is the left-handed isomer of BAY 2965501 (HY-153343). BAY 2965501 is a potent and selective diacylglycerol kinase zeta (DGKζ) inhibitor. BAY 2965501 induces pERK activation. BAY 2965501 can be used for the research of cancer[1].
Clozapine N-oxide (dihydrochloride)
Clozapine N-oxide dihydrochloride is a major metabolite of Clozapine and a human muscarinic designer receptors (DREADDs) agonist. Clozapine N-oxide dihydrochloride activates the DREADD receptor hM3Dq and hM4Di. Clozapine N-oxide dihydrochloride can cross the blood-brain barrier[1][2][3][4]. Clozapine is a potent dopamine antagonist and also a potent and selective muscarinic M4 receptor (EC50=11 nM) agonist[5][6].
