Exact Mass: 355.09032720000005
Exact Mass Matches: 355.09032720000005
Found 294 metabolites which its exact mass value is equals to given mass value 355.09032720000005,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(5,12,13-Triaza-indeno[1,2-b]anthracen-13-yl)-acetic acid ethylester
Fluchloralin
C12H13ClF3N3O4 (355.05466440000004)
2,5-diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one
2,5-diamino-6-(5-phospho-d-ribitylamino)pyrimidin-4(3h)-one is a member of the class of compounds known as monosaccharide phosphates. Monosaccharide phosphates are monosaccharides comprising a phosphated group linked to the carbohydrate unit. 2,5-diamino-6-(5-phospho-d-ribitylamino)pyrimidin-4(3h)-one is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 2,5-diamino-6-(5-phospho-d-ribitylamino)pyrimidin-4(3h)-one can be found in a number of food items such as abiyuch, saffron, natal plum, and pasta, which makes 2,5-diamino-6-(5-phospho-d-ribitylamino)pyrimidin-4(3h)-one a potential biomarker for the consumption of these food products. 2,5-diamino-6-(5-phospho-d-ribitylamino)pyrimidin-4(3h)-one may be a unique S.cerevisiae (yeast) metabolite.
Sulforaphane-cysteine-glycine
Avenanthramide P
[[(3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino] N-phenylcarbamate
C15H21N3O7 (355.13794359999997)
7,8-Dimethoxy-3-methyl-1-(4-nitrophenyl)-5H-2,3-benzodiazepin-4-one
Solantal
C15H18ClN3O3S (355.0757348000001)
1-Methyl ethyl 1-chloro-5-[[(5,6dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate
C16H18ClNO4S (355.0645018000001)
Clopidogrel active metabolite
C16H18ClNO4S (355.0645018000001)
5-methylthiopentyldesulfoglucosinolate
5-methylthiopentyldesulfoglucosinolate is a member of the class of compounds known as thioglycosides. Thioglycosides are glycoside in which a sugar group is bonded through one carbon to another group via a S-glycosidic bond. 5-methylthiopentyldesulfoglucosinolate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 5-methylthiopentyldesulfoglucosinolate can be found in a number of food items such as oval-leaf huckleberry, broad bean, adzuki bean, and cocoa bean, which makes 5-methylthiopentyldesulfoglucosinolate a potential biomarker for the consumption of these food products.
Coptisine chloride
C19H14ClNO4 (355.0611314000001)
Coptisine chloride is an alkaloid from Chinese goldthread, and acts as an efficient uncompetitive IDO inhibitor with a Ki value of 5.8 μM and an IC50 value of 6.3 μM. Coptisine chloride is a potent H1N1 neuraminidase (NA-1) inhibitor with an IC50 of 104.6?μg/mL and can be used for influenza A (H1N1) infection. Coptisine chloride is an alkaloid from Chinese goldthread, and acts as an efficient uncompetitive IDO inhibitor with a Ki value of 5.8 μM and an IC50 value of 6.3 μM. Coptisine chloride is a potent H1N1 neuraminidase (NA-1) inhibitor with an IC50 of 104.6?μg/mL and can be used for influenza A (H1N1) infection.
Coptisine
C19H14NO4+.Cl- (355.0611314000001)
Coptisine chloride is an alkaloid from Chinese goldthread, and acts as an efficient uncompetitive IDO inhibitor with a Ki value of 5.8 μM and an IC50 value of 6.3 μM. Coptisine chloride is a potent H1N1 neuraminidase (NA-1) inhibitor with an IC50 of 104.6?μg/mL and can be used for influenza A (H1N1) infection. Coptisine chloride is an alkaloid from Chinese goldthread, and acts as an efficient uncompetitive IDO inhibitor with a Ki value of 5.8 μM and an IC50 value of 6.3 μM. Coptisine chloride is a potent H1N1 neuraminidase (NA-1) inhibitor with an IC50 of 104.6?μg/mL and can be used for influenza A (H1N1) infection.
N2-(2-Cyanoethyl)-N2-(4-pyridylmethyl)-3-chlorobenzo[b]thiophene-2-carboxamide
C18H14ClN3OS (355.05460640000007)
2-[4-(1,3-Dithiolan-2-yl)phenoxy]-N-{[(isopropylamino)carbonyl]oxy}ethanimidamide
3-[2-Methyl-1,2,3,4-tetrahydro-6,7-(methylenebisoxy)isoquinoline-1-yl]-6,7-dihydroxyisobenzofuran-1(3H)-one
Guanosin-propionsaeure|N-(9-beta-D-ribofuranosyl-6-oxo-6,9-dihydro-1H-purin-2-yl)-alanine
desulfo-5-(methylsulfinyl)pentyl GL|desulfoglucoalyssin|DS-GAL
[(2R)-2-(beta-D-glucopyranosyloxy)-2-(3,4-dimethoxyphenyl)]acetonitrile
O1-(2-amino-2-deoxy-D-galactose-3-yl)-alpha-L-idopyranuronic acid|O1-(2-Amino-2-desoxy-D-galactose-3-yl)-alpha-L-idopyranuronsaeure
Methanone, (7,8-dihydro-1,3-dioxolo(4,5-g)isoquinolin-5-yl)(2-hydroxy-3,4-dimethoxyphenyl)-
Tox21_500468
C16H22BrNO3 (355.07829620000007)
Dihydro-beta-erythroidine hydrobromide is a member of indoles. Dihydro-β-erythroidine (DHβE) hydrobromide is a potent, orally active, and competitive antagonist of neuronal nAChRs. Dihydro-β-erythroidine hydrobromide shows selectivity for α4β4 and α4β2 nAChRs, with IC50s of 0.19 and 0.37 μM, respectively. Antidepressant-like activities[1][2][3]. Dihydro-β-erythroidine (DHβE) hydrobromide is a potent, orally active, and competitive antagonist of neuronal nAChRs. Dihydro-β-erythroidine hydrobromide shows selectivity for α4β4 and α4β2 nAChRs, with IC50s of 0.19 and 0.37 μM, respectively. Antidepressant-like activities[1][2][3].
Coptisine
C19H14ClNO4 (355.0611314000001)
Coptisine chloride is an alkaloid from Chinese goldthread, and acts as an efficient uncompetitive IDO inhibitor with a Ki value of 5.8 μM and an IC50 value of 6.3 μM. Coptisine chloride is a potent H1N1 neuraminidase (NA-1) inhibitor with an IC50 of 104.6?μg/mL and can be used for influenza A (H1N1) infection. Coptisine chloride is an alkaloid from Chinese goldthread, and acts as an efficient uncompetitive IDO inhibitor with a Ki value of 5.8 μM and an IC50 value of 6.3 μM. Coptisine chloride is a potent H1N1 neuraminidase (NA-1) inhibitor with an IC50 of 104.6?μg/mL and can be used for influenza A (H1N1) infection.
Isocoptisine chloride
C19H14ClNO4 (355.0611314000001)
Pseudocoptisine (Isocoptisine) chloride is a quaternary alkaloid with benzylisoquinoline skeleton, was isolated from Corydalis Tuber. Pseudocoptisine chloride inhibits acetylcholinesterase (AChE) activity with an IC50 of 12.8 μM. Anti-inflammatory and anti-amnestic effects[1][2].
MLS002172468-01!Dihydro-beta-erythroidine hydrobromide29734-68-7
C16H22BrNO3 (355.07829620000007)
10H-Phenothiazin-2-amine, 10-[3-(4-morpholinyl)-1-oxopropyl]-
C19H21N3O2S (355.13544060000004)
PC(3:0/2:0)[U]
CAY10499
MAGL-IN-5 (CAY10499) is a non-selective lipase inhibitor with IC50 values of 144, 90, and 14 nM for human recombinant monoacylglycerol lipase(MAGL),hormone sensitive lipase(HSL), and fatty acid amide hydrolase(FAAH) respectively[1][2].
Lys-Thr-OH
C15H21N3O7 (355.13794359999997)
Ser-Lys-OH
C15H21N3O7 (355.13794359999997)
Isradipine Metabolite (2,1,3-Benzoxadiazole, 3,5-pyridinedicarboxylic acid deriv.)
(6-Bromo-3,4,5,6-tetrahydro-2H-[1,2]bipyridinyl-4-yl)-carbamic acid tert-butyl ester
(6-Bromo-3,4,5,6-tetrahydro-2H-[1,2]bipyridinyl-3-yl)-carbamic acid tert-butyl ester
Thiazolidine, 3-(1-naphthalenylsulfonyl)-2-phenyl- (9CI)
N-(9-Fluorenylmethoxycarbonyl)-L-aspartic acid-1-13C
1-amino-5-hydroxy-4-[(1-methylpropyl)amino]-8-nitroanthraquinone
ethyl 3-(naphthalen-2-ylsulfonylamino)benzoate
C19H17NO4S (355.08782420000006)
N-(1-Naphthalenesulfonyl)-L-phenylalanine
C19H17NO4S (355.08782420000006)
tinofedrine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
9-(4-Acetoxy-3-acetoxymethylbutyl)-2-amino-6-chloropurine
C14H18ClN5O4 (355.10472580000004)
tert-butyl 4-(6-bromopyridin-2-yl)-1,4-diazepane-1-carboxylate
1-BOC-4-(4-BROMOPHENOXY)PIPERIDINE
C16H22BrNO3 (355.07829620000007)
5-[4-[2-[N-Methyl-N-(2-pyridinyl)amino]ethoxy]benzylidene]-2,4-thiazolidinedione
C18H17N3O3S (355.09905720000006)
methyl 4-[2-[4-(2-benzoxazoleyl)phenyl]vinyl]benzoate
plafibride
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
1-BOC-4-(4-BROMOPHENYL)-4-HYDROXYPIPERIDINE
C16H22BrNO3 (355.07829620000007)
(2-methoxycarbonyl) phenyl-2-acetamido-2-deoxy-beta-d-glucopyranoside
4-(2-chloro-3-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
C20H19ClFN3 (355.12514560000005)
Ethyl 4-acetoxy-2-(ethylthio)-6,7-difluoroquinoline-3-carboxylate
C16H15F2NO4S (355.06898140000004)
1-(azetidin-3-yl)-4-(4-methoxyphenyl)piperazine,trihydrochloride
3-[4-(2-Methoxyphenyl)piperazinyl]azetidine trihydrochloride
1-BOC-4-(3-bromophenoxy)piperidine
C16H22BrNO3 (355.07829620000007)
N-diphenylphosphanyl-N-pyridin-2-ylpyridin-2-amine
tert-butyl 4-(2-bromophenyl)-4-hydroxypiperidine-1-carboxylate
C16H22BrNO3 (355.07829620000007)
Enviradene
C19H21N3O2S (355.13544060000004)
C254 - Anti-Infective Agent > C281 - Antiviral Agent
benzyl 2-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxylate
Homatropine hydrobromide
C16H22BrNO3 (355.07829620000007)
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics C78283 - Agent Affecting Organs of Special Senses > C29706 - Mydriatic Agent Homatropine Bromide is an orally active muscarinic acetylcholine receptor antagonist and can be used as an anticholinergic agent[1].
(4S)-3-[5-(4-Fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone
2-(4,6-DIPHENYL-1,3,5-TRIAZIN-2-YL)-5-METHOXYPHENOL
tert-Butyl 4-(3-bromo-5-methylpyridin-2-yl)piperazine-1-carboxylate
N-Succinimidyl 3-(Diphenylphosphino)propionate
C19H18NO4P (355.09733980000004)
1H-Indole-1,7-dicarboxylic acid, 5-bromo-2,3-dihydro-, 1-(1,1-dimethylethyl) 7-Methyl ester
C15H18BrNO4 (355.04191280000003)
3-chloro-4-(diethylamino)benzenediazonium,hexafluorophosphate
C10H13ClF6N3P (355.04397700000004)
2-CHLORO-9-(2-3-O-ISOPROPYLIDENE-BETA-D-RIBOFURANOSYLURONIC ACID)ADENINE
Tiaramide
C15H18ClN3O3S (355.0757348000001)
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Vidofludimus
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, Guide to PHARMACOLOGY C471 - Enzyme Inhibitor > C2169 - Dihydroorotate Dehydrogenase Inhibitor C308 - Immunotherapeutic Agent > C574 - Immunosuppressant Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
{(2z)-4-Amino-2-[(4-Methoxyphenyl)imino]-2,3-Dihydro-1,3-Thiazol-5-Yl}(4-Methoxyphenyl)methanone
C18H17N3O3S (355.09905720000006)
2,6-difluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
2-[(E)-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoic acid
C17H13N3O4S (355.0626738000001)
2-[[3-(3,4-Dimethoxyphenyl)-2-oxo-1-benzopyran-7-yl]oxy]acetamide
2-[(1r)-1-Carboxy-2-(4-Hydroxyphenyl)ethyl]-1,3-Dioxoisoindoline-5-Carboxylic Acid
7-Carboxy-5-Hydroxy-12,13-Dihydro-6h-Indolo[2,3-A]pyrrolo[3,4-C]carbazole
C21H13N3O3 (355.09568680000007)
1-Deoxy-6-O-phosphono-1-[(phosphonomethyl)amino]-L-threo-hexitol
Kievitone-7-olate
C20H19O6- (355.11815740000003)
The oxoanion obtained by selective deprotonation of the 7-hydroxy group of kievitone; major species at pH 7.3.
14-Oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12-carboxylic acid
C21H13N3O3 (355.09568680000007)
Magl-IN-5
MAGL-IN-5 (CAY10499) is a non-selective lipase inhibitor with IC50 values of 144, 90, and 14 nM for human recombinant monoacylglycerol lipase(MAGL),hormone sensitive lipase(HSL), and fatty acid amide hydrolase(FAAH) respectively[1][2].
2-{5-[2-(1H-Benzoimidazol-2-yl)-2-cyano-vinyl]-furan-2-yl}-benzoic acid
C21H13N3O3 (355.09568680000007)
N-[3-(1,3-benzoxazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
C19H21N3O2S (355.13544060000004)
1-(2,1,3-Benzothiadiazol-5-yl)-3-[4-(4-morpholinyl)phenyl]urea
6-Methyl-2-[4-(1-piperidinylsulfonyl)phenyl]imidazo[1,2-a]pyridine
C19H21N3O2S (355.13544060000004)
N-tert-butyl-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dinitrobenzamide
C16H13N5O5 (355.09166480000005)
N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
C18H17N3O3S (355.09905720000006)
N-[2-(1-naphthalenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
3-(4-Bromophenyl)-1-(2-methyl-5,6,7,8-tetrahydro-3-quinolinyl)-2-propen-1-one
2-[(4-Oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-pyridinecarboxylic acid propan-2-yl ester
C18H17N3O3S (355.09905720000006)
2-[(1-acetyl-2-benzimidazolyl)thio]-N-(2-methoxyphenyl)acetamide
C18H17N3O3S (355.09905720000006)
1-Butyl-3-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea
C19H21N3O2S (355.13544060000004)
Norsolorinic acid anthrone(1-)
C20H19O6- (355.11815740000003)
A phenolate anion obtained by deprotonation of the 2-hydroxy group of norsolorinic acid anthrone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
N-[3-(2-furanyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
C20H21NO3S (355.1242076000001)
N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
C18H17N3O3S (355.09905720000006)
4-benzoyl-N-(4-methoxyphenyl)-1-piperazinecarbothioamide
C19H21N3O2S (355.13544060000004)
3-methoxy-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide
C19H21N3O2S (355.13544060000004)
2-[[[5-(3-Chlorophenyl)-2-furanyl]-oxomethyl]amino]benzoic acid methyl ester
C19H14ClNO4 (355.0611314000001)
1-[2-[(4-Chlorophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
C17H22ClNO3S (355.1008852000001)
4-[[3-Cyano-4-methyl-6-(3-pyridinyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester
C18H17N3O3S (355.09905720000006)
4-[(2-nitrobenzylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
C16H13N5O3S (355.07390680000003)
N-(3-methylphenyl)-2-{(4E)-4-[(5-methylthien-2-yl)methylene]-2,5-dioxoimidazolidin-1-yl}acetamide
C18H17N3O3S (355.09905720000006)
3-chloro-4,5-dimethoxy-N-(1-naphthalenylmethyl)benzamide
2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide
C19H21N3O2S (355.13544060000004)
2,4-dinitro-N-[(E)-(2-pyridin-2-ylcyclohexylidene)amino]aniline
2-[[2-(1-Azepanyl)-2-oxoethyl]thio]-6-methoxy-3-quinolinecarbonitrile
C19H21N3O2S (355.13544060000004)
1-[[[2-(Difluoromethoxy)phenyl]-oxomethyl]amino]-3-(4-fluorophenyl)thiourea
1-[(E)-(6-hydroxy-2,2-dimethyl-3H-chromen-4-ylidene)amino]-3-(4-methylphenyl)thiourea
C19H21N3O2S (355.13544060000004)
Deoxyherqueinone(1-)
C20H19O6- (355.11815740000003)
A phenolate anion obtained by deprotonation of the 4-hydroxy group of deoxyherqueinone. It is the major microspecies at pH 7.3.
5-chloro-N-(4-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
5-(dimethylamino)-N-(4-aminobenzyl)naphthalene-1-sulfonamide
C19H21N3O2S (355.13544060000004)
4-(tert-butyl)-N-(5-chloro-2-(1H-tetrazol-5-yl)phenyl)benzamide
5-(Methylthio)pentyldesulfoglucosinolate
An omega-(methylsulfany)alkyl desulfoglucosinolate in which the omega-(methylsulfany)alkyl group is specified as 5-(methylsulfanyl)pentyl.
(2S)-2-[2-[(1S,6S)-5-carboxy-6-hydroxycyclohexa-2,4-dien-1-yl]oxyprop-2-enoylamino]pentanedioic acid
C15H17NO9 (355.09032720000005)
6-(2-Aminopropanoyloxymethyl)-9-methoxyphenazine-1-carboxylic acid
[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate;hydrobromide
C16H22BrNO3 (355.07829620000007)
[1-Acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] hexanoate
(3-Acetyloxy-2-propanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-butanoyloxypropyl] butanoate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] pentanoate
2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone
A 1-deoxy-D-ribitol-5-phosphate having a (5,6-diamino-4-oxopyrimidin-2-yl)amino group at the 1-position.
5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-2,4-dione
C20H21NO3S (355.1242076000001)
S-(chloromethyl)glutathione
C11H18ClN3O6S (355.06047980000005)
An S-substituted glutathione that is glutathione in which the mercapto hydrogen has been replaced by a chloromethyl group.
VU0152099
C18H17N3O3S (355.09905720000006)
VU0152099 is a potent, selective and brain-penetrant mAChR M4 positive allosteric modulator with an EC50 of 0.4 μM for rat M4 receptor. VU0152099 is inactive for other mAChR subtypes or other GPCRs. VU0152099 has no agonist activity but potentiated responses of M4 to acetylcholine[1]. VU0152099 is a potent, selective and brain-penetrant mAChR M4 positive allosteric modulator with an EC50 of 0.4 μM for rat M4 receptor. VU0152099 is inactive for other mAChR subtypes or other GPCRs. VU0152099 has no agonist activity but potentiated responses of M4 to acetylcholine[1].
4-(1h-indol-3-yl)-5-oxo-6h-azepino[4,5-b]indole-2-carboxylic acid
C21H13N3O3 (355.09568680000007)
7-[(dimethylamino)methyl]-5,12-dimethoxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
methyl 10-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate
1-(1h-indole-3-carbonyl)-9h-pyrido[3,4-b]indole-3-carboxylic acid
C21H13N3O3 (355.09568680000007)
aristolochicacid i methyl ester
{"Ingredient_id": "HBIN016808","Ingredient_name": "aristolochicacid i methyl ester","Alias": "NA","Ingredient_formula": "C18H13NO7","Ingredient_Smile": "COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)OC","Ingredient_weight": "355.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1718","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "96709","DrugBank_id": "NA"}
10-(6,7-dihydroxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl)-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one
methyl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate
6-hydroxy-7-methoxy-12-methyl-16,18-dioxa-12-azatetracyclo[11.7.0.0⁴,⁹.0¹⁵,¹⁹]icosa-1(20),4(9),5,7,13,15(19)-hexaene-2,3-dione
(4s)-4-hydroxy-15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,7,9(17),13,15-pentaene-3,11,12-trione
1,4,5-trihydroxy-6-{[2-(2-methylbut-3-en-2-yl)indol-3-ylidene]methyl}pyrazine-2,3-dione
6-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h-indole-2-carboxylic acid
C15H17NO9 (355.09032720000005)
(2s,3r,4s,5s,6r)-2-{[(1e)-1-(hydroxyimino)-6-(methylsulfanyl)hexyl]sulfanyl}-6-(hydroxymethyl)oxane-3,4,5-triol
(3s,6r,8s,10s)-9-thia-11,15,20-triazaheptacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0⁵,²⁰.0¹⁷,²¹]docosa-1,11,13,15,17(21)-pentaene-6,8,13-triol
C18H17N3O3S (355.09905720000006)
5-[(5s)-2h,5h,6h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl]-2h-1,3-benzodioxole-4-carboxylic acid
(10r)-10-[(1s)-6,7-dihydroxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one
(2r,3r,4r,5r,6s)-2-{[(1z)-1-(hydroxyimino)-6-(methylsulfanyl)hexyl]sulfanyl}-6-(hydroxymethyl)oxane-3,4,5-triol
{8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxol-5-yl}acetic acid
5-{2h,5h,6h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl}-2h-1,3-benzodioxole-4-carboxylic acid
(3r)-3-cyano-2-methylidene-3-{[(2r,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propoxysulfonic acid
C11H17NO10S (355.05731420000006)
3-cyano-2-methylidene-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propoxysulfonic acid
C11H17NO10S (355.05731420000006)