Exact Mass: 319.0948304
Exact Mass Matches: 319.0948304
Found 450 metabolites which its exact mass value is equals to given mass value 319.0948304
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Norfloxacin
C16H18FN3O3 (319.13321300000007)
Norfloxacin is only found in individuals that have used or taken this drug. It is a synthetic fluoroquinolone (fluoroquinolones) with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin inhibits bacterial DNA gyrase. [PubChem]The bactericidal action of Norfloxacin results from inhibition of the enzymes topoisomerase II (DNA gyrase) and topoisomerase IV, which are required for bacterial DNA replication, transcription, repair, and recombination. Norfloxacin is a broad-spectrum antibiotic that is active against both gram-positive and gram-negative bacterias. The fluorine atom at the 6 position increases potency against gram-negative organisms, and the piperazine moiety at the 7 position is responsible for anti-pseudomonal activity J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones 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 S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AE - Fluoroquinolones D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 232 CONFIDENCE standard compound; INTERNAL_ID 1032
Tetrodotoxin
A quinazoline alkaloid that is a marine toxin isolated from fish such as puffer fish. It has been shown to exhibit potential neutotoxicity due to its ability to block voltage-gated sodium channels. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker Tetrodotoxin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=4368-28-9 (retrieved 2024-09-06) (CAS RN: 4368-28-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
ci no 52015
C16H18ClN3S (319.09098980000005)
V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CG - Tests for gastric secretion COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Tryptophyl-Aspartate
Tryptophyl-Aspartate is a dipeptide composed of tryptophan and aspartate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Aspartyl-Tryptophan
Aspartyl-Tryptophan is a dipeptide composed of aspartate and tryptophan. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Ibandronate
Ibandronate is a nitrogen-containing bisphosphonate in the same class as alendronate and risedronate. Ibandronate inhibits osteoclast-mediated bone resorption. All of the bisphosphonates prevent the breakdown of bone by bone cells called osteoclasts. In persons who are at high risk for osteoporosis, bisphosphonates not only result in increased amounts of bone and bone strength, they also reduce the risk of hip fractures and other bone fractures. M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
N-Gluconyl ethanolamine phosphate
N-Gluconyl ethanolamine phosphate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Salbutamol 4-O-sulfate
C13H21NO6S (319.10895260000007)
Salbutamol 4-O-sulfate is a metabolite of salbutamol. Salbutamol or albuterol is a short-acting β2-adrenergic receptor agonist used for the relief of bronchospasm in conditions such as asthma and chronic obstructive pulmonary disease. It is marketed as Ventolin among other brand names. Salbutamol was the first selective β2-receptor agonist to be marketed — in 1968. It was first sold by Allen & Hanburys under the brand name Ventolin. The drug was an instant success, and has been used for the treatment of asthma ever since. (Wikipedia)
N-(p-Toluenesulfonyl)-L-phenylalanine
C16H17NO4S (319.08782420000006)
5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol, octahydro-12-(hydroxymethyl)-2-imino-,(4R,4aR,5R,7S,9S,10S,10aR,11S,12S)-
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D049990 - Membrane Transport Modulators
1-(2-Methylbenzo[d]oxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
Cocaine-alcohol
N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline
C13H21NO6S (319.10895260000007)
2-Chloro-N-[(Z)-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylideneamino]benzamide
C15H14ClN3O3 (319.07236439999997)
Sarmazenil
C15H14ClN3O3 (319.07236439999997)
4-Hydroxy-5-[3-[(1-methylcyclohexyl)methoxy]phenyl]-3H-1,3-thiazol-2-one
C17H21NO3S (319.12420760000003)
alpha-[(3-Amino-3-carboxy-2-hydroxypropyl)amino]-2-carboxy-1-azetidinebutanoic acid
C12H21N3O7 (319.13794359999997)
2-chloro-3-(octylamino)-1,4-dihydronaphthalene-1,4-dione
C18H22ClNO2 (319.13389820000003)
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-furyl)-2,6-dimethyl-, diethyl ester
2-(tert-Butylsulfonyl)-3-(3-methylbenzo[b]thiophen-2-yl)acrylonitrile
C16H17NO2S2 (319.07006620000004)
6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)butanamide
9,10-methanediyldioxy-1-methyl-lycoranane-5alpha,7xi-diol|dihydrocliviasine|Radiatin|radiatine
Decarine
A natural product found particularly in Zanthoxylum caudatum and Zanthoxylum viride.
(3R)-(-)-7,8-dimethoxygeibalansine|(3R)-(-)-8,9-dimethoxygeibalansine
Hernandonine
An oxoaporphine alkaloid isolated from Hernandia ovigera and Lindera chunii and has been shown exhibit inhibitory activity against HIV-1 integrase .
1-N-beta-D-ribofuranosylmakaluvamine I|N-1-beta-D-ribofuranosylmakalucamine I|N-1-beta-D-ribofuranosylmakaluvamine I
(+)-7-(2-hydroxy-3-methyl-butyl)-6-methoxy-9-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one|(+)-lunidine|Lunidin|Lunidine
4-methoxy-1-methyl-3-(2S-acetoxy-3-hydroxy-butyl)-2-quinolone
(S)-2-(3,4-dihydroxybenzoylamino)-3-(3,4-dihydroxyphenyl)propanol|nigerrimin B
8-(4-O-methyl-alpha-rhamnopyranosyloxy)-2-methyquinoline
(1R*,3S*)-1-(5-hydroxymethylfuran-2-yl)-3-carboxy-6-hydroxy-8-methoxy-1,2,3,4-tetrahydroisoquinoline
2-(3,4-dihydro-2-methoxy-4-oxoquinazolinyl)-1H-indole-3-carboxaldehyde|orirenierine B
C18H13N3O3 (319.09568680000007)
2-Hydroxynicotianamine|2-hydroxynicotianamine
C12H21N3O7 (319.13794359999997)
Cassameridine
An oxoaporphine alkaloid that is 7H-dibenzo[de,g]quinolin-7-one which is substituted by methylenedioxy grups at the 1,2 and 9,10 positions. Compared with liriodenine, which lacks the 9,10-methylenedioxy group, cassameridine displays only moderate antifungal activity.
(Xi)-2,3-dihydroxy-2-phenyl-propionic acid (2R)-4-methyl-(3at,6at)-hexahydro-2r,5c-methano-furo[3,2-b]pyrrol-6c-yl ester
Hydroxyevodiamine
Confoline
Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Tropane alkaloids
1,N2-6-Oxo-malondialdehyde-deoxyguanosine
C13H13N5O5 (319.09166480000005)
H-1152
C16H21N3O2S (319.13544060000004)
Albuterol (Salbutamol-4-O-sulfate)
C13H21NO6S (319.10895260000007)
Ibandronate
M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
Asp-TRP
A dipeptide formed from L-alpha-aspartyl and L-tryptophan residues.
TRP-Asp
A dipeptide formed from L-tryptophan and L-aspartic acid residues.
N-Gluconyl ethanolamine phosphate
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoic acid
Methyl 5,5,5-trifluoro-4-(2-(4-nitrophenyl) hydrazono)pentanoate
C12H12F3N3O4 (319.07798679999996)
(S)-(+)-Norepinephrine L-bitartrate
C12H17NO9 (319.09032720000005)
METHYL 2-((TERT-BUTOXYCARBONYL)AMINO)-5-(TRIFLUOROMETHYL)BENZOATE
ETHYL5-CHLOROTHIOPHENE-2-CARBOXLATE
C17H21NO3S (319.12420760000003)
3-[4-(METHOXYCARBONYL)PHENYL]-3-[(2,2,2-TRIFLUOROACETYL)AMINO]PROPANOIC ACID
C13H12F3NO5 (319.06675379999996)
(r)-phenyl-(toluene-4-sulfonylamino)-acetic acid methyl ester
C16H17NO4S (319.08782420000006)
1-(3-Bromo-5-methylpyridin-2-yl)-4-ethylpiperazine hydrochloride
methyl 3-[(2,4-dimethylphenyl)sulfonylamino]benzoate
C16H17NO4S (319.08782420000006)
METHYL 2-(4-METHYLPHENYLSULFONAMIDO)-2-PHENYLACETATE
C16H17NO4S (319.08782420000006)
(R)-2-(4-Methylphenylsulfonamido)-3-phenylpropanoicacid
C16H17NO4S (319.08782420000006)
Proquinolate
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent
METHYL 4-(ETHYLCARBAMOYL)-2,3-DIFLUORO-[1,1-BIPHENYL]-3-CARBOXYLATE
C17H15F2NO3 (319.1019944000001)
6,7-Difluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid
C16H8F3NO3 (319.04562540000006)
2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-1-ethanol
C13H16F3N3O3 (319.11437020000005)
METHYL2-(PIPERIDIN-4-YLSULFONYL)BENZOATEHYDROCHLORIDE
Butanoic acid, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-3-methyl-, 1,1-dimethylethyl ester, (2R)-
4-(4-chloro-2-fluoroanilino)-6-methoxy-1H-quinazolin-7-one
(2R)-2-[(4-Ethyl-2,3-dioxopiperazinyl)carbonylamino]-2-phenylacetic acid
1-Azulenesulfonic acid, 3,8-dimethyl-5-(1-methylethyl)-, sodium salt, hydrate (2:2:1)
3-(2-Benzyl(methyl)aminoethyl)benzoic acid methyl ester hydrochloride
C18H22ClNO2 (319.13389820000003)
2-[2-(4-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid
C15H17N3O3S (319.09905720000006)
N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-2-naphthalenecarboxamide
C18H13N3O3 (319.09568680000007)
4-(6-METHOXY-2-NAPHTHYL)-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE
2-[4-(4-hydroxybut-2-ynyl)piperazin-1-yl]-3-nitrobenzoic acid
Ro 19-4603
C15H17N3O3S (319.09905720000006)
dimethyl 4-(3-methoxy-3-oxopropyl)-4-nitroheptanedioate
(1R,2S)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPANAMINE (2R,3R)-2,3-DIHYDROXYSUCCINATE
3-FLUORO-5-(5-((2-METHYLTHIAZOL-4-YL)ETHYNYL)PYRIDIN-2-YL)BENZONITRILE
C18H10FN3S (319.05794320000007)
Butanoic acid, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-3-methyl-, 1,1-dimethylethyl ester, (2S)-
N-[5-Acetyl-2-(benzyloxy)phenyl]methanesulfonamide
C16H17NO4S (319.08782420000006)
Methanone, [4-(4-chlorophenyl)-1-piperazinyl](3,5-dimethyl-4-isoxazolyl)
(R)-ethyl 2-(1-(benzyloxycarbonyl)ethyl)thiazole-5-carboxylate
C16H17NO4S (319.08782420000006)
(E)-P,P-diphenyl-N-(1-phenylethylidene)phosphinic amide
Methanone, [4-(2-chlorophenyl)-1-piperazinyl](3,5-dimethyl-4-isoxazolyl)-
(1-(tert-Butoxycarbonyl)-7-(methoxycarbonyl)-1H-indol-2-yl)boronic acid
C15H18BNO6 (319.12271180000005)
[4-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
C15H18BNO6 (319.12271180000005)
(1-(tert-Butoxycarbonyl)-6-(methoxycarbonyl)-1H-indol-2-yl)boronic acid
C15H18BNO6 (319.12271180000005)
METHYL 2-([(4-CHLOROPHENYL)SULFONYL]AMINO)-4-METHYLPENTANOATE
METHYL 2-((ISOPROPOXYCARBONYL)AMINO)-5-METHYL-4-(TRIFLUOROMETHYL)BENZOATE
[(1R)-1-(benzyloxycarbonylamino)-2-phenyl-ethyl]phosphinic acid
C16H18NO4P (319.09733980000004)
(1-(tert-Butoxycarbonyl)-5-(methoxycarbonyl)-1H-indol-2-yl)boronic acid
C15H18BNO6 (319.12271180000005)
Sarmazenil
C15H14ClN3O3 (319.07236439999997)
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
ETHYL 5-HYDROXY-2-(METHYLTHIO)-7-OXO-8-(PROP-2-YNYL)-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
Sumanirole Maleate
Sumanirole maleate (U-95666E; PNU-95666E) is a highly selective D2 receptor full agonist with an ED50 of about 46 nM. Sumanirole plays an important role in the research of Parkinson's disease and restless leg syndrome[1].
1-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine
Thiazolidine, 2-(4-methylphenyl)-3-(phenylsulfonyl)- (9CI)
C16H17NO2S2 (319.07006620000004)
METHYL N-P-TOLUENESULFONYL-L-2-PHENYLGLYCINATE
C16H17NO4S (319.08782420000006)
Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)-3-oxobutanoate
1-BENZYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
C18H22ClNO2 (319.13389820000003)
(2S)-5-Oxo-1,2-pyrrolidinedicarboxylic acid 2-(1,1-dimethylethyl) 1-(phenylmethyl) ester
4-(3-Chloro-2-fluoroanilino)-6-hydroxy-7- methoxyquinazoline
9,10 - dimethylacridinium methyl sulfate
C16H17NO4S (319.08782420000006)
1-Oxa-8-azaspiro[4,5]decane-8-carboxylic acid,3-bromo-,1,1-dimethylethylester
C13H22BrNO3 (319.07829620000007)
FAAH-IN-2
FAAH-IN-2 (O-Desmorpholinopropyl Gefitinib) is a potent FAAH(fatty acid amide hydrolase) inhibitor extracted from Patent WO/2008/100977A2.
1,1-BIPHENYL]-3-ACETAMIDE, N-[(3-FLUOROPHENYL)METHYL]-
3-[3-Acetyl-4-hydroxy-2-(4-methoxy-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid
Methyl 3-(benzyloxy)-1-(2,2-dihydroxyethyl)-4-oxo-1,4-dihydropyridine-2-carboxylate
tert-Butyl 5-chloro-6-(trifluoromethyl)-1H-indole-1-carboxylate
(3-Fluoro-4-(((4-methoxybenzyl)oxy)carbamoyl)phenyl)boronic acid
2-[benzyl-(4-methylphenyl)sulfonyl-amino]acetic acid
C16H17NO4S (319.08782420000006)
(S)-2-Methyl-1-[(4-methyl-5-isoquinoline)sulfonyl]-homopiperazine
C16H21N3O2S (319.13544060000004)
(1R)-1-(2-Thienylacetylamino)-1-(3-carboxyphenyl)methylboronic acid
C14H14BNO5S (319.06857040000006)
6-Chloro-4-(cyclohexyloxy)-3-propylquinolin-2(1H)-one
C18H22ClNO2 (319.13389820000003)
2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid
C16H17NO4S (319.08782420000006)
6,11-Dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester
1-[1-(3-Fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
C16H18FN3O3 (319.13321300000007)
2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester
1-Cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea
C16H21N3O2S (319.13544060000004)
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide
C18H13N3OS (319.07792880000005)
N-(4-methyl-2-thiazolyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-methyl-1-phthalazinone
1H-Indole-3-acetic acid, 1-(trimethylsilyl)-, trimethylsilyl ester
6-Chloro-4-(cyclohexyloxy)-3-isopropylquinolin-2(1H)-one
C18H22ClNO2 (319.13389820000003)
5-(2-Fluorophenyl)-N-(Pyridin-4-Ylmethyl)pyrazolo[1,5-A]pyrimidin-7-Amine
(11R,13S)-3-amino-5,12,13,14-tetrahydroxy-14-(hydroxymethyl)-8,10-dioxa-2-aza-4-azoniatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-9-olate
N-(7-Carbamimidoyl-naphthalen-1-YL)-3-hydroxy-2-methyl-benzamide
6-Amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-G]quinazolin-8-one
6-(2-Fluorophenyl)-N-(Pyridin-3-Ylmethyl)imidazo[1,2-A]pyrazin-8-Amine
{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
ibandronic acid
M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
1-[3-(3,4,5-Trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one
(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate
-[(1R,3S)-5,6,9,10-tetrahydroxy-1-methyl-1H,3H,4H-naphtho[2,3-c]pyran-3-yl]acetate
(2R,3R)-3,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-5-olate
6-Methyl-5-[3-(3-nitrophenoxy)propoxy]pyrimidine-2,4-diamine
N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline
C13H21NO6S (319.10895260000007)
Methyl 3-benzoyloxy-2-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
2-Chloro-N-[(Z)-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylideneamino]benzamide
C15H14ClN3O3 (319.07236439999997)
1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-2-one
(11S,13S)-3-Amino-5,12,13,14-tetrahydroxy-14-(hydroxymethyl)-8,10-dioxa-2-aza-4-azoniatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-9-olate
gamma-d-Glutamyl-meso-diaminopimelic acid
C12H21N3O7 (319.13794359999997)
The gamma-D-glutamyl derivative of meso-diaminopimelic acid. Minimal ligand of NOD1.
N-[2-(1-azepanyl)-1,3-benzothiazol-6-yl]carbamic acid ethyl ester
C16H21N3O2S (319.13544060000004)
4-chloro-N-[2-(4-nitroanilino)ethyl]benzamide
C15H14ClN3O3 (319.07236439999997)
N-[[[(4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide
1-[[(1,5-Dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxyphenyl)thiourea
N-[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]-2-thiophenecarboxamide
6-Ethoxy-2-[(4-fluorophenyl)methylthio]-1,3-benzothiazole
3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(2-fluorophenyl)methyl] ester
1-(4-Ethyl-2-pyridinyl)-3-(4-methylphenyl)sulfonylurea
C15H17N3O3S (319.09905720000006)
N-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]pyridine-4-carbohydrazide
C13H13N5O3S (319.07390680000003)
N-(2-furanylmethyl)-1-(4-methoxyphenyl)-5-benzimidazolamine
2-(4-Methoxyphenyl)-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
2-[(7-Hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylamino]-4-methylpentanoic acid
3-[[(3-Chloro-4-ethoxyphenyl)-oxomethyl]amino]benzoic acid
4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (5-methoxycarbonyl-2-furanyl)methyl ester
2-(9-Ethyl-6-indolo[3,2-b]quinoxalinyl)acetic acid methyl ester
N-(1,3-benzodioxol-5-ylmethyl)-4-benzofuro[3,2-d]pyrimidinamine
C18H13N3O3 (319.09568680000007)
1-(2-Methylprop-2-enyl)-3-[(5-nitro-2-oxo-3-indolyl)amino]thiourea
C13H13N5O3S (319.07390680000003)
5-(4-Methoxyphenyl)-7-(4-methylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine
4-[4-[Cyclohexyloxy(oxo)methyl]anilino]-4-oxobutanoic acid
7,8-Dimethoxy-5-methyl-3-phenylpyrazolo[3,4-c]isoquinoline
2-(4-Chlorophenyl)-4-(ethylthio)-6-(1-pyrrolidinyl)pyrimidine
C16H18ClN3S (319.09098980000005)
N-(4-fluorophenyl)-1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine
2,3-Dihydro-1,4-dioxin-5-carboxylic acid [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] ester
1-(4-Methoxyanilino)-3-(4-methoxyphenyl)sulanylpropan-2-ol
C17H21NO3S (319.12420760000003)
6,7-dimethoxy-2-[(1H-1,2,4-triazol-5-ylthio)methyl]-1H-quinazolin-4-one
C13H13N5O3S (319.07390680000003)
N-(1-cyano-3-pyrrolidinyl)-4-(trifluoromethyl)benzenesulfonamide
6-(2-methyl-3-furanyl)-N-[(5-methyl-2-furanyl)methyl]-4-quinazolinamine
6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)-4-quinazolinamine
(2R,6S)-2-amino-6-[[(4R)-4-amino-4-carboxybutanoyl]amino]heptanedioic acid
C12H21N3O7 (319.13794359999997)
1-Cyclopropyl-4-oxo-5-methyl-6-fluoro-7-[(2-aminoethyl)amino]-1,4-dihydroquinoline-3-carboxylic acid
C16H18FN3O3 (319.13321300000007)
5-Methoxyaminomethyl-2-thiouridine
C11H17N3O6S (319.08380220000004)
2-(1-Ethyl-1H-indol-2-yl)-1-methyl-1H-benzimidazole-6-carboxylic acid
5-(1,4-Diazepan-1-ylsulfonyl)-4-ethylisoquinoline
C16H21N3O2S (319.13544060000004)
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-pyrimidinylthio)-1-propanamine
C16H21N3O2S (319.13544060000004)
[(1R,2S,4S,5S)-9-methyl-9-oxido-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
(11S,13S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol
(2S)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenoxy)propanamide
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)butanamide
(N-Trifluoroacetylamino)methylphosphonic acid dibutyl ester
C11H21F3NO4P (319.11602320000003)
3-Methyl-4-phenacyl-1-para-tolyl-3-pyrroline-2,5-dione
norfloxacin
C16H18FN3O3 (319.13321300000007)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones 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 S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AE - Fluoroquinolones D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
Mycophenolate
A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid.
Neuropeptide Y5 receptor ligand-1
Neuropeptide Y5 receptor ligand-1 (compound 54), a carbazole derivative, is a potent neuropeptide Y5 (NPY-5) receptor antagonist[1].
Ro 67-7476
C17H18FNO2S (319.10422200000005)
Ro 67-7476 is a potent positive allosteric modulator of mGluR1 and potentiates glutamate-induced calcium release in HEK293 cells expressing rat mGluR1a with an EC50 of 60.1 nM[1][2]. Ro 67-7476 is a potent P-ERK1/2 agonist?and activates ERK1/2 phosphorylation in the absence of exogenously added glutamate (EC50=163.3 nM)[3].
18,19-dihydroxy-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
C18H13N3O3 (319.09568680000007)
5-[(1r,2r)-2,3-dihydroxy-1-methoxypropyl]-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde
3-{[(2s,3r)-3-(hydroxymethyl)-3-methyloxiran-2-yl]methyl}-4,8-dimethoxy-1-methylquinolin-2-one
(4s,6s,8s,9r,12r,16s)-8-hydroxy-4,6-dimethyl-17-oxa-2-azatetracyclo[7.6.2.0⁴,¹⁶.0¹²,¹⁶]heptadec-1(15)-ene-3,5,14-trione
2-{4,7,8-trimethoxy-2h,3h-furo[2,3-b]quinolin-2-yl}propan-2-ol
1-{3-[(3-amino-3-carboxy-2-hydroxypropyl)amino]-3-carboxypropyl}azetidine-2-carboxylic acid
C12H21N3O7 (319.13794359999997)
(2s,3s)-3-hydroxy-1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)butan-2-yl acetate
(2e)-n-[(2r)-2,4-bis(acetyloxy)butyl]-3-phenylprop-2-enimidic acid
5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one
6-hydroxy-1,5,15-trimethyl-4,12-dioxa-7-azapentacyclo[8.5.0.0³,⁵.0³,⁸.0¹¹,¹³]pentadeca-7,9-dien-14-yl acetate
(2z)-n-(4-{[(2e)-3-(methylsulfanyl)prop-2-enoyl]oxy}butyl)-3-phenylprop-2-enimidic acid
C17H21NO3S (319.12420760000003)
(8s,9r,11r,13r)-3,8,14-trihydroxy-11,13-dimethyl-17-oxa-15-azatricyclo[7.6.2.0⁵,¹⁶]heptadeca-1,3,5(16),14-tetraen-12-one
8-hydroxy-4,6-dimethyl-17-oxa-2-azatetracyclo[7.6.2.0⁴,¹⁶.0¹²,¹⁶]heptadec-1(15)-ene-3,5,14-trione
anisodine
{"Ingredient_id": "HBIN016190","Ingredient_name": "anisodine","Alias": "NA","Ingredient_formula": "C17H21NO5","Ingredient_Smile": "CN1C2CC(CC1C3C2O3)OC(=O)C(CO)(C4=CC=CC=C4)O","Ingredient_weight": "319.35","OB_score": "NA","CAS_id": "52646-92-1","SymMap_id": "NA","TCMID_id": "1288","TCMSP_id": "NA","TCM_ID_id": "6759;11314;12309;17633;17634","PubChem_id": "44386560","DrugBank_id": "NA"}
7-[(2s)-2-hydroxy-3-methylbutyl]-6-methoxy-9-methyl-2h-[1,3]dioxolo[4,5-h]quinolin-8-one
(1r,5r,6r,7r,9s,11s,12s,13s,14r)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
(1r,4s,6s,8s,10r,17s)-17-hydroxy-8,10-dimethyl-5-oxa-12-azatetracyclo[8.6.1.0⁴,⁶.0¹³,¹⁷]heptadec-13-ene-9,11,15-trione
10-{[2-(4-hydroxyphenyl)ethenyl]amino}-2-methyl-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one
n-[1-(3,4-dihydroxyphenyl)-3-hydroxypropan-2-yl]-3,4-dihydroxybenzenecarboximidic acid
9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2r)-2,3-dihydroxy-2-phenylpropanoate
(1r,5r,6s,7r,9s,11r,12r,13s,14r)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
2-hydroxy-3-(1h-indol-3-ylmethyl)-4-methyl-3h-1,4-benzodiazepin-5-one
4-benzyl-3-hydroxy-4h-pyrazino[2,1-b]quinazoline-1,6-dione
C18H13N3O3 (319.09568680000007)
ethyl 4-methyl-6-(1,4,6-trihydroxy-3h-isoindol-5-yl)hex-4-enoate
17-methoxy-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2(10),3,8,11,14(19),15,17,20-nonaen-16-ol
n-(4-{[3-(methylsulfanyl)prop-2-enoyl]oxy}butyl)-3-phenylprop-2-enimidic acid
C17H21NO3S (319.12420760000003)
(2s)-1-[(3s)-3-{[(2r,3s)-3-amino-3-carboxy-2-hydroxypropyl]amino}-3-carboxypropyl]azetidine-2-carboxylic acid
C12H21N3O7 (319.13794359999997)
4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),13,15(19)-triene-9,12-diol
(2s,4r)-n-{5-[(2-carbamimidoyleth-1-en-1-yl)carbamoyl]-1h-pyrrol-3-yl}-4-hydroxy-5-iminopyrrolidine-2-carboximidic acid
(1r,5r,6r,7r,9s,11s,13s,14s)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
10-amino-2-[(3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one
(1r,5s,6r,7r,9s,11s,12r,13s,14s)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
methyl 2-(1,2-dimethoxy-2-oxoethyl)-1-methyl-4-oxoquinoline-3-carboxylate
(1s,10s,11r,13s,17r)-5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one
15-methoxy-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2(10),3,8,11,14,17,19-octaen-16-one
5-[(1s,2r)-2,3-dihydroxy-1-methoxypropyl]-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde
2-[2-(methylamino)benzoyl]-3h,4h,9h-pyrido[3,4-b]indol-1-one
(11s,12r)-11,12-dihydroxy-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
C18H13N3O3 (319.09568680000007)
2-[(2s)-4,7,8-trimethoxy-2h,3h-furo[2,3-b]quinolin-2-yl]propan-2-ol
(4s)-4-benzyl-3-hydroxy-4h-pyrazino[2,1-b]quinazoline-1,6-dione
C18H13N3O3 (319.09568680000007)
10-{[(1e)-2-(4-hydroxyphenyl)ethenyl]amino}-2-methyl-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one
(1r,3s,4r,5s,7r)-6-methyl-2-oxa-6-azatricyclo[3.3.1.0³,⁷]nonan-4-yl (2r)-2,3-dihydroxy-2-phenylpropanoate
methyl 4-methyl-6-(1,4,6-trihydroxy-3-oxoisoindol-5-yl)hex-4-enoate
(2r)-2-hydroxy-3-{[(2s)-3-methoxy-2-[(3r)-3-methyl-2,5-dioxopyrrolidin-1-yl]-3-oxopropyl]sulfanyl}propanoic acid
C12H17NO7S (319.07256920000003)
5-methoxy-6-methyl-2-[(2-methylquinolin-8-yl)oxy]oxane-3,4-diol
(2e)-n-(4-{[(2e)-3-(methylsulfanyl)prop-2-enoyl]oxy}butyl)-3-phenylprop-2-enimidic acid
C17H21NO3S (319.12420760000003)
methyl 2-[(1s)-1,2-dimethoxy-2-oxoethyl]-1-methyl-4-oxoquinoline-3-carboxylate
3-[2-(1h-indol-3-yl)ethyl]-1-methylquinazoline-2,4-dione
3,8,14-trihydroxy-11,13-dimethyl-17-oxa-15-azatricyclo[7.6.2.0⁵,¹⁶]heptadeca-1,3,5(16),14-tetraen-12-one
(2e)-n-(4-{[(2z)-3-(methylsulfanyl)prop-2-enoyl]oxy}butyl)-3-phenylprop-2-enimidic acid
C17H21NO3S (319.12420760000003)
4-[2-({11-hydroxy-7-methyl-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),3,8(12),9-tetraen-10-yl}imino)ethylidene]cyclohexa-2,5-dien-1-one
15-methoxy-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2(10),3,8,11,14(19),15,17,20-nonaen-16-ol
(1r,3s,5s,6r,11s,13r,14r,15r)-6-hydroxy-1,5,15-trimethyl-4,12-dioxa-7-azapentacyclo[8.5.0.0³,⁵.0³,⁸.0¹¹,¹³]pentadeca-7,9-dien-14-yl acetate
(8e,10e)-11-[5-(c-hydroxycarbonimidoyl)-4-oxopyran-2-yl]undeca-8,10-dienoic acid
2-hydroxy-3-{[3-methoxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-3-oxopropyl]sulfanyl}propanoic acid
C12H17NO7S (319.07256920000003)
17-methoxy-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2(10),3,8,11,14(19),15,17,20-nonaen-18-ol
(3s)-2-hydroxy-3-(1h-indol-3-ylmethyl)-4-methyl-3h-1,4-benzodiazepin-5-one
n-[2,4-bis(acetyloxy)butyl]-3-phenylprop-2-enimidic acid
17-hydroxy-8,10-dimethyl-5-oxa-12-azatetracyclo[8.6.1.0⁴,⁶.0¹³,¹⁷]heptadec-13-ene-9,11,15-trione
4,9-dihydroxy-2-methyl-5,10-dioxo-11h-benzo[b]fluorene-11-diazonium
(1r,5r,6r,7r,9s,11s,13s,14r)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
7-(2-hydroxy-3-methylbutyl)-6-methoxy-9-methyl-2h-[1,3]dioxolo[4,5-h]quinolin-8-one
16-methoxy-13,13-dimethyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,9,11,14,16,18-octaene
(2s,3r,7r,9s,10s,12r)-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),13,15(19)-triene-9,12-diol
(1r,5s)-8-formyl-8-azabicyclo[3.2.1]octan-3-yl 3,4-dimethoxybenzoate
(1r,5r,6s,7s,9s,11s,12s,13s,14s)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
n-[(2s)-1-(3,4-dihydroxyphenyl)-3-hydroxypropan-2-yl]-3,4-dihydroxybenzenecarboximidic acid
(1r,5r,6r,7r,9s,11s,12r,13s,14s)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-5,6-dihydropyridin-2-one
ethyl (4e)-4-methyl-6-(1,4,6-trihydroxy-3h-isoindol-5-yl)hex-4-enoate
n-(2-{12-hydroxy-8,14-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,11,13,15-octaen-10-yl}ethyl)ethanimidic acid
(1r,2r,3r,4s,5r,6r,7s,11r)-2,3,4,5-tetrahydroxy-4-(hydroxymethyl)-9-imino-12-oxa-8,10-diazatricyclo[5.3.2.0¹,⁶]dodecane-11-carboxylic acid
5,8,9-trimethoxy-2,2-dimethyl-3h,4h-pyrano[2,3-b]quinolin-3-ol
3,5-dihydroxy-4-{[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohex-1-en-1-yl]amino}pentanoic acid
(1s,13s,16s,17r)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-16,17-diol
(3r)-5,8,9-trimethoxy-2,2-dimethyl-3h,4h-pyrano[2,3-b]quinolin-3-ol
(11s,13s)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
(1s,13r,16s,17s)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-16,17-diol
5,6-dihydroxy-3-(hydroxymethyl)-6-(1h-indol-3-ylmethyl)-1-methoxy-3h-pyrazin-2-one
(1r,5s,6r,7r,9s,11s,12s,13s,14s)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
7-hydroxy-4,8-diphenyl-2h-[1,3]dioxolo[4,5-d]azepin-5-one
10-hydroxy-10-[5-(hydroxymethyl)-1-methyl-2,4-dioxopyrrolidin-3-ylidene]deca-2,4,6,8-tetraenoic acid
5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.0²,¹⁰.0⁴,⁸.0¹⁶,²³.0¹⁸,²²]tricosa-1(22),2,4(8),9,12(23),13,15,17-octaen-11-one
(1r,5r,6r,7s,9r,11s,13s,14s)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-16,17-diol
methyl 2-[(1r)-1,2-dimethoxy-2-oxoethyl]-1-methyl-4-oxoquinoline-3-carboxylate
5-(2,3-dihydroxy-1-methoxypropyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde
3-hydroxy-1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)butan-2-yl acetate
11,12-dihydroxy-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
C18H13N3O3 (319.09568680000007)