Exact Mass: 429.13494479999997
Exact Mass Matches: 429.13494479999997
Found 260 metabolites which its exact mass value is equals to given mass value 429.13494479999997,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Besifloxacin HCl
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
Pizotifen malate
C23H27NO5S (429.1609852000001)
Pizotifen malate (Pizotyline malate) is a potent 5-HT2 receptor antagonist, with a high affinity for 5-HT1C binding site.
Azalanstat
C22H24ClN3O2S (429.12776740000004)
Azeloprazole
C22H27N3O4S (429.1722182000001)
Zofenopril
C22H23NO4S2 (429.10684380000004)
trans-zeatin riboside monophosphate
C15H20N5O8P (429.10494500000004)
Cis-zeatin riboside monophosphate is a member of the class of compounds known as purine ribonucleoside monophosphates. Purine ribonucleoside monophosphates are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. Cis-zeatin riboside monophosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Cis-zeatin riboside monophosphate can be found in a number of food items such as lichee, swiss chard, catjang pea, and teff, which makes cis-zeatin riboside monophosphate a potential biomarker for the consumption of these food products.
Periglaucine D
C23H27NO7 (429.17874320000004)
A natural product found in Pericampylus glaucus.
beta-D-glucopyranuronic acid 3-(2-amino-4-oxo-3,4-dihydro-pteridin-6-yl)-2,3-dihydroxy-propyl ester|Neopterin-3-beta-D-glucuronid
14N-Ac-9-[(2-Amino-2-carboxyethyl)thio]-10-hydroxy-3,5,7-tetradecatrienedioic acid
(5R)-3-methyl-2(5H)furanone-(5->6)-(6R)-5,6-dihydrosanguinarine|maclekarpine C
C25H19NO6 (429.12123140000006)
(-)-trans-2-fluorocyclohexyl-N-[p-(4-methyl-beta-D-glucopyranosyl)]phenyl-carbamate
7beta-senecioyloxy-9-(5-senecioyloxy angeloyloxy)-5,8-dehydroheliotridin-5-one|7beta-senecioyloxy-9-<5-senecioyloxy angeloyloxy>-5,8-dehydroheliotridin-5-one
C23H27NO7 (429.17874320000004)
Pefloxacin mesylate
L - Antineoplastic and immunomodulating agents > L03 - Immunostimulants > L03A - Immunostimulants > L03AA - Colony stimulating factors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
SMZ-PtO
C17H15N7O5S (429.08553400000005)
CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); ALGAE_TP_ID 3103 ALGAE_TP_ID 3103; CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b)
Cys Gly His Asn
C15H23N7O6S (429.14304580000004)
Cys Gly Asn His
C15H23N7O6S (429.14304580000004)
Cys His Gly Asn
C15H23N7O6S (429.14304580000004)
Cys His Asn Gly
C15H23N7O6S (429.14304580000004)
Cys Asn Gly His
C15H23N7O6S (429.14304580000004)
Cys Asn His Gly
C15H23N7O6S (429.14304580000004)
Cys Asn Pro Pro
Cys Pro Asn Pro
Cys Pro Pro Asn
Gly Cys His Asn
C15H23N7O6S (429.14304580000004)
Gly Cys Asn His
C15H23N7O6S (429.14304580000004)
Gly His Cys Asn
C15H23N7O6S (429.14304580000004)
Gly His Asn Cys
C15H23N7O6S (429.14304580000004)
Gly Asn Cys His
C15H23N7O6S (429.14304580000004)
Gly Asn His Cys
C15H23N7O6S (429.14304580000004)
His Cys Gly Asn
C15H23N7O6S (429.14304580000004)
His Cys Asn Gly
C15H23N7O6S (429.14304580000004)
His Gly Cys Asn
C15H23N7O6S (429.14304580000004)
His Gly Asn Cys
C15H23N7O6S (429.14304580000004)
His Asn Cys Gly
C15H23N7O6S (429.14304580000004)
His Asn Gly Cys
C15H23N7O6S (429.14304580000004)
Asn Cys Gly His
C15H23N7O6S (429.14304580000004)
Asn Cys His Gly
C15H23N7O6S (429.14304580000004)
Asn Cys Pro Pro
Asn Gly Cys His
C15H23N7O6S (429.14304580000004)
Asn Gly His Cys
C15H23N7O6S (429.14304580000004)
Asn His Cys Gly
C15H23N7O6S (429.14304580000004)
Asn His Gly Cys
C15H23N7O6S (429.14304580000004)
Asn Pro Cys Pro
Asn Pro Pro Cys
Pro Cys Asn Pro
Pro Cys Pro Asn
Pro Asn Cys Pro
Pro Asn Pro Cys
Pro Pro Cys Asn
Pro Pro Asn Cys
14-carboxy-15,16,17,18,19,20-hexanor-N-acetyl-leukotriene E4
2-(4-methylpiperidin-1-yl)ethyl 6-ethyl-3-methyl-2,9-dioxo-[1,3]thiazolo[5,4-f]quinoline-8-carboxylate
C22H27N3O4S (429.1722182000001)
Amicycline
C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
7-(Benzyloxy)-4-(4-Fluoro-2-Methyl-1h-Indol-5-Yloxy)-6-Methoxyquinazoline
C25H20FN3O3 (429.14886220000005)
4-({[(2S,4S)-2-[2-(4-Chlorophenyl)ethyl]-2-(1H-imidazol-1-ylmethy l)-1,3-dioxolan-4-yl]methyl}sulfanyl)aniline
C22H24ClN3O2S (429.12776740000004)
2-(((1-(TERT-BUTOXY)-2-METHYL-1-OXOPROPAN-2-YL)OXY)IMINO)-2-(2-((TERT-BUTOXYCARBONYL)AMINO)THIAZOL-4-YL)ACETIC ACID
2-(2-ETHOXY-1-BUTENYL)-5-PHENYL-3-(3-SULFOBUTYL)BENZOXAZOLIUM INNER SALT
C23H27NO5S (429.1609852000001)
2-[4-[(2-chloro-4-nitrophenyl)azo]-N-(2-cyanoethyl)-3-methylanilino]ethyl acetate
C20H20ClN5O4 (429.1203750000001)
(2-DIMETHYLAMINO-4-NITROPHENYL) PHOSPHORIC ACID DIAMMONIUM SALT MONOHYDRATE
C8H25N5O11P2 (429.10257599999994)
Zofenopril
C22H23NO4S2 (429.10684380000004)
C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09A - Ace inhibitors, plain > C09AA - Ace inhibitors, plain D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
4-nitrooxybutyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
C21H19NO9 (429.10597640000003)
N-(2-Benzoyl-4-nitrophenyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetamide
Erlotinib hydrochloride
C22H24ClN3O4 (429.14552540000005)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
[4-(2,4-difluorophenyl)-2-(phenylcarbamoyl)phenyl] benzoate
C26H17F2NO3 (429.11764360000006)
4-Chloromethyl-n-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)benzamide
C24H20ClN5O (429.13563000000005)
3-[N-(2-hydroxyethyl)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile
C19H19N5O3S2 (429.09292639999995)
ethyl 1,4-dihydro-7-[(S,S)-3-methoxy-4-methylamino-1-pyrrolidinyl]-4-oxo-1-(2-thiazolyl)-1,8-naphthyridine-3-carboxylate
C20H23N5O4S (429.14706780000006)
methyl 1-[(2-carbamoylbiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate
C25H23N3O4 (429.16884780000004)
[(1H-Benzotriazol-1-yl)methyl]triphenylphosphonium Chloride
C25H21ClN3P (429.1161546000001)
Phosphonic acid, P,P-(dichloromethylene)bis-, compd. with N,N-dibutyl-1-butanamine (1:1)
(alphaZ)-5-Amino-alpha-[(triphenylmethoxy)imino]-1,2,4-thiadiazole-3-acetic acid ion(1-)
C23H17N4O3S (429.10213120000003)
2-[[(3aR,4S,6R,6aS)-6-(7-chloro-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
C17H24ClN5O4S (429.1237454000001)
(Z)-2-(2-Aminothiazole-4-yl-)-2-trityloxyimino acetic acid
C24H19N3O3S (429.11470640000005)
3-(4-chlorophenyl)-9-(4-phenylphenyl)carbazole
C30H20ClN (429.12841900000006)
2-[3-(1H-imidazol-5-yl)propyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine,trihydrochloride
C14H26Cl3N7S (429.1035886000001)
3,8-DI-(ETHOXYCARBONYLAMINO)-6-PHENYLPHENANTHRIDINE
C25H23N3O4 (429.16884780000004)
2-(Fmoc-amino)-2-(1,1-dioxo-4-tetrahydrothiopyranyl)acetic Acid
C22H23NO6S (429.12460180000005)
2-(((4-(2,2-dimethyl-1,3-dioxan-5-yl)methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzimidazole
C22H27N3O4S (429.1722182000001)
Rac-N-Methyllaudanosolinium Trifluoroacetate
C20H22F3NO6 (429.13991480000004)
A natural product found in Gnetum montanum.
N-(4-fluoro-3-(6-pyridin-2-yl-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)phenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
C22H16FN7O2 (429.13494479999997)
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4,6-dimethyl-2-pyridinyl)-1-piperazinecarbothioamide
C18H19ClF3N5S (429.10017200000004)
2-Furanyl-[4-[(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)-thiophen-2-ylmethyl]-1-piperazinyl]methanone
C19H19N5O3S2 (429.09292639999995)
Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(1-piperazinyl)propylidene)-, (E)-
[4-(4-Acetylamino-phenyl)-3,5-dioxo-4-aza-tricyclo[5.2.2.0 2,6]undec-1-ylcarbamoyloxy]-acetic acid
2-{[(6-Oxo-1,6-Dihydropyridin-3-Yl)methyl]amino}-N-[4-Propyl-3-(Trifluoromethyl)phenyl]benzamide
(2-Mercaptomethyl-4-phenyl-butyrylimino)-(5-tetrazol-1-ylmethyl-thiophen-2-yl)-acetic acid
C19H19N5O3S2 (429.09292639999995)
(2S,5R,6R)-6-({(6S)-6-[(ammonioacetyl)amino]-6-carboxylatohexanoyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
C17H25N4O7S- (429.14438800000005)
Ipratropium bromide hydrate
C20H32BrNO4 (429.15145720000004)
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents
N-phenyl-5-(7-piperidin-4-yloxyisoquinolin-6-yl)thiophene-2-carboxamide
9-Ribosyl-trans-zeatin 5-phosphate(2-)
C15H20N5O8P-2 (429.10494500000004)
N-acetyl-L-aspartyl-L-glutamyl-L-glutamate
C16H19N3O11-4 (429.10195439999995)
2-O-[alpha-D-Glucopyranosyl-(1->6)-alpha-D-glucopyranosyl]-D-glycerate
(2-Amino-3-oxopropyl) [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
C14H28N3O8PS (429.13346580000007)
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2,5-dihydroxy-3-methylphenyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
C17H23N3O8S (429.12057980000003)
4-[({2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl}methyl)sulfanyl]aniline
C22H24ClN3O2S (429.12776740000004)
[3,4-dihydroxy-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolan-2-yl]methyl phosphate
C15H20N5O8P-2 (429.10494500000004)
Tarceva
C22H24ClN3O4 (429.14552540000005)
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
[5-[(4-Methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone
C23H19N5O4 (429.14369740000006)
3-[2-[4-(2-Chloro-4-nitrophenyl)-1-piperazinyl]ethoxy]-4-phenyl-1,2,5-oxadiazole
C20H20ClN5O4 (429.1203750000001)
1-Ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid methanesulfonate
1-[2-[[(2,4-Dichloroanilino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
C19H25Cl2N3O4 (429.12220300000007)
N-[3-(4-morpholinylsulfonyl)phenyl]-4-(2-oxo-1-pyrrolidinyl)benzamide
C21H23N3O5S (429.13583480000005)
2-[[4-(4-fluorophenyl)-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-oxolanylmethyl)acetamide
N-(2-ethylphenyl)-2-[[2-(4-methoxyphenyl)-4-oxo-1-benzopyran-6-yl]oxy]acetamide
C26H23NO5 (429.15761480000003)
N-[2-methoxy-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]-2-(4-methylphenoxy)acetamide
C25H23N3O4 (429.16884780000004)
N-[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]phenyl]propanamide
C23H28ClN3O3 (429.1819088000001)
{[(1r,7r)-4-(4-Acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.0(2,6)]undec-1-yl]carbamoyloxy}acetic acid
N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
C21H20ClN3O3S (429.09138400000006)
methyl 3-[[2-[1,3-benzodioxol-5-yl(ethyl)amino]acetyl]amino]-5-chloro-1H-indole-2-carboxylate
C21H20ClN3O5 (429.1091420000001)
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(3,4-dimethoxyphenyl)-5-tetrazolyl]thio]acetamide
2-[[(4-ethoxyphenyl)-oxomethyl]amino]acetic acid [2-(9H-fluoren-3-yl)-2-oxoethyl] ester
C26H23NO5 (429.15761480000003)
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-pyridinylmethyl)benzamide
C21H20ClN3O3S (429.09138400000006)
2-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
N-(phenylmethyl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide
3,4,5-trimethoxy-N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]carbamothioyl]benzamide
C21H23N3O5S (429.13583480000005)
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-morpholinyl)phenyl]-3-imidazo[1,2-a]pyrazinamine
C24H23N5O3 (429.18008080000004)
2-(2-Bromophenyl)-3-[3-(4-morpholinyl)propyl]-1,2-dihydroquinazolin-4-one
2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3-yl]-N-(1-phenylethyl)acetamide
C21H23N3O5S (429.13583480000005)
N-[2,5-diethoxy-4-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide
C21H23N3O5S (429.13583480000005)
3-[(2S,4S)-2-(4-hydroxybutoxy)-6-[4-morpholinyl(oxo)methyl]-3,4-dihydro-2H-pyran-4-yl]-1-benzopyran-4-one
C23H27NO7 (429.17874320000004)
N-(18-Phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)benzamide
3-O-acetyl-8-O-demethylmaritidine Trifluoroacetic acid
C20H22F3NO6 (429.13991480000004)
A natural product found in Crinum asiaticum var. sinicum.
(2R)-2-O-[alpha-D-glucopyranosyl-(1->6)-alpha-D-glucopyranosyl]-glycerate
(4-(2,5-Di(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl)(furan-3-yl)methanone
C23H19N5O4 (429.14369740000006)
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
3-[4-[(1R,5S)-3-(2-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
4-[4-[(1S,5R)-3-(phenylmethyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
4-[4-[(1R,5S)-3-(2-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
methyl 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetate
4-[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile
C22H27N3O4S (429.1722182000001)
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
methyl 2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetate
(2S)-2-[(4S,5S)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C22H27N3O4S (429.1722182000001)
(2S)-2-[(4S,5R)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C22H27N3O4S (429.1722182000001)
(2R)-2-[(4S,5R)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C22H27N3O4S (429.1722182000001)
[(1S,2aS,8bS)-2-(1,3-benzodioxol-5-ylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-pyridinyl)methanone
C25H23N3O4 (429.16884780000004)
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
(2R)-2-[(4S,5S)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C22H27N3O4S (429.1722182000001)
(2S)-2-[(4R,5R)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C22H27N3O4S (429.1722182000001)
(2R)-2-[(4R,5S)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C22H27N3O4S (429.1722182000001)
(2S)-2-[(4R,5S)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C22H27N3O4S (429.1722182000001)
(2R)-2-[(4R,5R)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C22H27N3O4S (429.1722182000001)
[(1R,2aR,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-pyridinyl)methanone
C25H23N3O4 (429.16884780000004)
[(1S,2aR,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-pyridinyl)methanone
C25H23N3O4 (429.16884780000004)
[(1R,2aS,8bS)-2-(1,3-benzodioxol-5-ylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-pyridinyl)methanone
C25H23N3O4 (429.16884780000004)
2-[(2R,4aR,12aR)-5-methyl-8-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
Benzylpenicilloyl-butylamine sodium
C20H28N3NaO4S (429.1698128000001)
2-methyl-5-oxo-7-thiophen-2-yl-4-(3-thiophenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-methoxyethyl ester
C22H23NO4S2 (429.10684380000004)
methyl 2-[(6-O-alpha-D-mannopyranosyl-alpha-D-mannopyranosyl)thio]ethanimidate
2-Chloro-N-[3-[(Z)-2-cyano-3-oxo-3-(2-phenylethylamino)prop-1-enyl]phenyl]benzamide
C25H20ClN3O2 (429.12439700000004)
5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy]methyl]furan-2-carboxylic acid
C24H19N3O5 (429.13246440000006)
2-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide;hydrate
C20H23N5O4S (429.14706780000006)
9-Ribosyl-trans-zeatin 5-phosphate(2-)
C15H20N5O8P (429.10494500000004)
A organophosphate oxoanion that is that is AMP(2-) substituted at position N-6 by a (2E)-4-hydroxy-3-methylbut-2-en-1-yl group; major species at pH 7.3.
2-O-[alpha-D-mannosyl-(1->2)-alpha-D-glucosyl]-D-glycerate
A carbohydrate acid derivative anion that is the conjugate base of 2-O-[alpha-D-mannosyl-(1->2)-alpha-D-glucosyl]-D-glyceric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Befiradol (hydrochloride)
Befiradol hydrochloride (NLX-112 hydrochloride) is a selective 5-HT1A receptor agonist.
GNE-9278
C21H27N5O3S (429.18345120000004)
GNE-9278 is a highly selective positive allosteric modulator of NMDAR that acts at the GluN1 transmembrane domain (TMD). GNE-9278 acts on activated NMDARs to increase peak current and agonist affinity[1].
Ipratropium (bromide hydrate)
C20H32BrNO4 (429.15145720000004)
Ipratropium bromide (Sch 1000) hydrate is a muscarinic receptor antagonist, with IC50s of 2.9 nM, 2 nM, and 1.7 nM for M1, M2, and M3 receptors, respectively. Ipratropium bromide hydrate relaxes smooth muscle, can be used in the research for COPD (chronic obstructive pulmonary disease) and asthma[1][2][3][4][5].
UBP316
C20H19N3O6S (429.0994514000001)
UBP316 (ACET) is a highly potent and selective kainate receptor GluK1 (GluR5) antagonist, with a Kb value of 1.4 nM. UBP316 is effective at blocking the depression of both field excitatory postsynaptic potentials (fEPSPs) and monosynaptically-evoked GABAergic transmission induced by ATPA, a GluK1 selective agonist[1].
(1s,11r,13s,14s,15r,19r)-14,15-dimethoxy-20-methyl-19-(2-oxopropyl)-5,7,21-trioxa-20-azahexacyclo[11.4.3.1¹¹,¹⁴.0¹,¹³.0²,¹⁰.0⁴,⁸]henicosa-2,4(8),9-trien-16-one
C23H27NO7 (429.17874320000004)
(5r)-3-methyl-5-[(23s)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl]-5h-furan-2-one
C25H19NO6 (429.12123140000006)
1-acetyl-5-hydroxy-6-[(2r,4r,5s,6r)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]-3-methylnaphtho[2,3-c]thiophene-4,9-dione
C22H23NO6S (429.12460180000005)
(3s,12r,27s)-12,26-dihydroxy-3-methyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione
C23H19N5O4 (429.14369740000006)
12,26-dihydroxy-3-methyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione
C23H19N5O4 (429.14369740000006)
2-[(1-hydroxy-2-{[hydroxy(5-hydroxy-3,4-dihydro-2h-pyrrol-2-yl)methylidene]amino}-3-(c-hydroxycarbonimidoyl)propylidene)amino]-3-(1h-indol-3-yl)propanoic acid
6-[2,3-dihydroxy-3-(4-hydroxy-2-imino-1h-pteridin-6-yl)propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
1-(2-amino-1-benzofuran-3-yl)-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
3-nitropropyl allolactoside
{"Ingredient_id": "HBIN008981","Ingredient_name": "3-nitropropyl allolactoside","Alias": "NA","Ingredient_formula": "C15H27NO13","Ingredient_Smile": "NA","Ingredient_weight": "429.377","OB_score": "NA","CAS_id": "117845-08-O","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8027","PubChem_id": "NA","DrugBank_id": "NA"}
acuminaminoside
{"Ingredient_id": "HBIN014647","Ingredient_name": "acuminaminoside","Alias": "NA","Ingredient_formula": "C22H23NO8","Ingredient_Smile": "C1=CC=C(C(=C1)CC(=O)C2=C(OC3=CC=CC=C32)N)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "429.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "590","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21577089","DrugBank_id": "NA"}
(5s,8r,9s)-8-benzoyl-2-[(1z,3z)-1,4-dihydroxyhexa-1,3-dien-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
8-benzoyl-2-(1,4-dihydroxyhexa-1,3-dien-1-yl)-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(1s,3s,12r,14r,27s)-12,26-dihydroxy-3-methyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione
C23H19N5O4 (429.14369740000006)
methyl 5-[(1e)-2-{6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}-1,2-dihydroxyethenyl]-2h-1,3-benzodioxole-4-carboxylate
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(9r)-16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-15-yl]oxy}oxane-3,4,5-triol
C23H27NO7 (429.17874320000004)
2-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methoxyphenyl]-10-methyl-2-azatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),3,6,8(12),9-pentaen-5-one
C26H20ClNO3 (429.1131640000001)
14,15-dimethoxy-20-methyl-19-(2-oxopropyl)-5,7,21-trioxa-20-azahexacyclo[11.4.3.1¹¹,¹⁴.0¹,¹³.0²,¹⁰.0⁴,⁸]henicosa-2,4(8),9-trien-16-one
C23H27NO7 (429.17874320000004)
2-(cyanomethylidene)-5,6-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 3-methylbut-2-enoate
C19H27NO10 (429.16348819999996)
2,5-dimethyl 3-(5-hydroxy-1h-indol-3-yl)-4-(1h-indol-3-yl)-1h-pyrrole-2,5-dicarboxylate
C24H19N3O5 (429.13246440000006)
[16-(hydroxymethyl)-3,17,18-trimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15(20),16,18-hexaen-19-yl]methanol
C23H27NO7 (429.17874320000004)
(2s,3s,4s,5r,6r)-6-[(2r,3r)-2,3-dihydroxy-3-(4-hydroxy-2-imino-1h-pteridin-6-yl)propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
methyl 4,5,14,15,16-pentamethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-10-carboxylate
C23H27NO7 (429.17874320000004)
(2s)-2-{[(2s)-1-hydroxy-2-({hydroxy[(2s)-5-hydroxy-3,4-dihydro-2h-pyrrol-2-yl]methylidene}amino)-3-(c-hydroxycarbonimidoyl)propylidene]amino}-3-(1h-indol-3-yl)propanoic acid
(1s,3r,12r,14r,27s)-12,26-dihydroxy-3-methyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione
C23H19N5O4 (429.14369740000006)
2-fluorocyclohexyl n-(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}phenyl)carbamate
1-acetyl-5-hydroxy-6-[5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]-3-methylnaphtho[2,3-c]thiophene-4,9-dione
C22H23NO6S (429.12460180000005)
(1r,2r)-2-fluorocyclohexyl n-(4-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}phenyl)carbamate
2,12,16,19,29-pentaazaoctacyclo[15.13.1.1¹⁸,²⁶.0¹,¹⁰.0³,⁸.0¹³,³¹.0²⁰,²⁵.0³⁰,³²]dotriaconta-3,5,7,13(31),16,18,20(25),21,23,26(32),27,29-dodecaen-9-one
C27H19N5O (429.15895240000003)
(1s,3s,12s,14s,27s)-12,26-dihydroxy-3-methyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione
C23H19N5O4 (429.14369740000006)
methyl (9s)-4,5,14,15,16-pentamethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-10-carboxylate
C23H27NO7 (429.17874320000004)
(1s,10s)-2,12,16,19,29-pentaazaoctacyclo[15.13.1.1¹⁸,²².0¹,¹⁰.0³,⁸.0¹³,³¹.0²³,²⁸.0³⁰,³²]dotriaconta-3,5,7,13(31),16,18,20,22(32),23(28),24,26,29-dodecaen-9-one
C27H19N5O (429.15895240000003)
2-(4-chlorophenyl)-3-[2-(hydroxymethyl)-3-methoxyphenyl]-10-methyl-2-azatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),3,6,8(12),9-pentaen-5-one
C26H20ClNO3 (429.1131640000001)
methyl 5-(2-{6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}-1,2-dihydroxyethenyl)-2h-1,3-benzodioxole-4-carboxylate
[(1s)-16-(hydroxymethyl)-3,17,18-trimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15(20),16,18-hexaen-19-yl]methanol
C23H27NO7 (429.17874320000004)
3-methyl-5-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}-5h-furan-2-one
C25H19NO6 (429.12123140000006)
3-(cyanomethylidene)-2,6-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 3-methylbut-2-enoate
C19H27NO10 (429.16348819999996)
(5r)-3-methyl-5-[(23r)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl]-5h-furan-2-one
C25H19NO6 (429.12123140000006)
4-(cyanomethylidene)-2,3-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 3-methylbut-2-enoate
C19H27NO10 (429.16348819999996)
(1s,2e,3r,5s,6s)-2-(cyanomethylidene)-5,6-dihydroxy-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 3-methylbut-2-enoate
C19H27NO10 (429.16348819999996)
5-(2-{2-[2-(dimethylamino)ethyl]-4,5-dimethoxyphenyl}-2-oxoacetyl)-2h-1,3-benzodioxole-4-carboxylic acid
(9s,12s,15s)-9-amino-4,10,13-trihydroxy-12-(hydroxymethyl)-2-oxa-11,14-diazatricyclo[15.2.2.1³,⁷]docosa-1(19),3(22),4,6,10,13,17,20-octaene-15-carboxylic acid
2-hydroxy-n-[(9s)-5,13,19-trimethoxy-6-oxo-15,17-dioxatetracyclo[10.7.0.0²,⁸.0¹⁴,¹⁸]nonadeca-1(19),2,4,7,12,14(18)-hexaen-9-yl]ethanimidic acid
(1s,2r,3s,4z,5r)-4-(cyanomethylidene)-2,3-dihydroxy-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 3-methylbut-2-enoate
C19H27NO10 (429.16348819999996)
(1s,11s,13s,14r,15r,19r)-14,15-dimethoxy-20-methyl-19-(2-oxopropyl)-5,7,21-trioxa-20-azahexacyclo[11.4.3.1¹¹,¹⁴.0¹,¹³.0²,¹⁰.0⁴,⁸]henicosa-2,4(8),9-trien-16-one
C23H27NO7 (429.17874320000004)
1-(2-amino-1-benzofuran-3-yl)-2-(2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
(1s,2s,3z,4r,6s)-3-(cyanomethylidene)-2,6-dihydroxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 3-methylbut-2-enoate
C19H27NO10 (429.16348819999996)
(1r,3s,12r,14s,27s)-12,26-dihydroxy-3-methyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione
C23H19N5O4 (429.14369740000006)
(14s)-14-(methoxycarbonyl)-9-methyl-12-oxo-14-phenyl-13-oxa-2,9-diazatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3,5,7,11(15),16-hexaene-4-carboximidic acid
C24H19N3O5 (429.13246440000006)