Exact Mass: 319.1909
Exact Mass Matches: 319.1909
Found 500 metabolites which its exact mass value is equals to given mass value 319.1909,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Metconazole
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3171 CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9898; ORIGINAL_PRECURSOR_SCAN_NO 9895 CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9890; ORIGINAL_PRECURSOR_SCAN_NO 9888 CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9838; ORIGINAL_PRECURSOR_SCAN_NO 9837 CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9910; ORIGINAL_PRECURSOR_SCAN_NO 9909 CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9790; ORIGINAL_PRECURSOR_SCAN_NO 9789 CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9852; ORIGINAL_PRECURSOR_SCAN_NO 9851 CONFIDENCE standard compound; INTERNAL_ID 8446 CONFIDENCE standard compound; INTERNAL_ID 2583
Chloroquine
Chloroquine is only found in individuals that have used or taken this drug. It is a prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses. [PubChem]The mechanism of plasmodicidal action of chloroquine is not completely certain. Like other quinoline derivatives, it is thought to inhibit heme polymerase activity. This results in accumulation of free heme, which is toxic to the parasites. nside red blood cells, the malarial parasite must degrade hemoglobin to acquire essential amino acids, which the parasite requires to construct its own protein and for energy metabolism. Digestion is carried out in a vacuole of the parasite cell.During this process, the parasite produces the toxic and soluble molecule heme. The heme moiety consists of a porphyrin ring called Fe(II)-protoporphyrin IX (FP). To avoid destruction by this molecule, the parasite biocrystallizes heme to form hemozoin, a non-toxic molecule. Hemozoin collects in the digestive vacuole as insoluble crystals.Chloroquine enters the red blood cell, inhabiting parasite cell, and digestive vacuole by simple diffusion. Chloroquine then becomes protonated (to CQ2+), as the digestive vacuole is known to be acidic (pH 4.7); chloroquine then cannot leave by diffusion. Chloroquine caps hemozoin molecules to prevent further biocrystallization of heme, thus leading to heme buildup. Chloroquine binds to heme (or FP) to form what is known as the FP-Chloroquine complex; this complex is highly toxic to the cell and disrupts membrane function. Action of the toxic FP-Chloroquine and FP results in cell lysis and ultimately parasite cell autodigestion. In essence, the parasite cell drowns in its own metabolic products. P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BA - Aminoquinolines COVID info from Guide to PHARMACOLOGY, DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D018501 - Antirheumatic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-Carbazol-9-yl-3-(3,5-dimethylpyrazol-1-yl)-propan-2-ol
2-[2-[[4-[[3-Aminopropyl]amino]butyl]amino]-2-oxoethyl]-2-hydroxybutanedioic acid
Homocapsaicin
Isolated from the pungent principle of red pepper (Capsicum annuum). Homocapsaicin is found in many foods, some of which are green bell pepper, pepper (c. annuum), herbs and spices, and italian sweet red pepper. Homocapsaicin is found in herbs and spices. Homocapsaicin is isolated from the pungent principle of red pepper (Capsicum annuum
Latrepirdine
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Latrepirdine is a tricyclic H1-antihistamine.
b-Dihydrotetrabenazine
b-Dihydrotetrabenazine is a metabolite of tetrabenazine. Tetrabenazine is a drug for the symptomatic treatment of hyperkinetic movement disorder and is marketed under the trade names Nitoman in Canada and Xenazine in New Zealand and some parts of Europe, and is also available in the USA as an orphan drug. On August 15, 2008 the U.S. Food and Drug Administration (FDA) approved the use of tetrabenazine to treat chorea associated with Huntingtons disease (HD), the first in the US. The compound has been known since the 1950s. (Wikipedia)
alpha-dihydrotetrabenazine
alpha-dihydrotetrabenazine is a metabolite of tetrabenazine. Tetrabenazine is a drug for the symptomatic treatment of hyperkinetic movement disorder and is marketed under the trade names Nitoman in Canada and Xenazine in New Zealand and some parts of Europe, and is also available in the USA as an orphan drug. On August 15, 2008 the U.S. Food and Drug Administration (FDA) approved the use of tetrabenazine to treat chorea associated with Huntingtons disease (HD), the first in the US. The compound has been known since the 1950s. (Wikipedia)
(2S)-2-Hydroxy-2-(propan-2-yl)butanedioylcarnitine
(2S)-2-hydroxy-2-(propan-2-yl)butanedioylcarnitine is an acylcarnitine. More specifically, it is an (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2S)-2-hydroxy-2-(propan-2-yl)butanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2S)-2-hydroxy-2-(propan-2-yl)butanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
6-Acetyloxy-3,4-dihydro-N,N,2,5,7,8-hexamethyl-2H-1-benzopyran-2-ethanamine
Cocaine-alcohol
Deshydroxyethyl opipramol
Imidafenacin
G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BD - Drugs for urinary frequency and incontinence C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent Imidafenacin (KRP-197; ONO-8025) is a potent and selective inhibitor of M3 receptors.
1-(1-Acetyl-piperidin-4-yl)-3-adamantan-1-yl-urea
1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl-
Cynaustine
Cynaustine belongs to alkaloids and derivatives class of compounds. Those are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic propertiesand is also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. Cynaustine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cynaustine can be found in borage, which makes cynaustine a potential biomarker for the consumption of this food product.
tert-Butyl N-{2-[2-amino-4-(trifluoromethyl)anilino]ethyl}carbamate
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-furyl)-2,6-dimethyl-, diethyl ester
9,10-methanediyldioxy-1-methyl-lycoranane-5alpha,7xi-diol|dihydrocliviasine|Radiatin|radiatine
(3R)-(-)-7,8-dimethoxygeibalansine|(3R)-(-)-8,9-dimethoxygeibalansine
9-(4-aminophenyl)-7-hydroxy-2,4,6-trimethyl-9-oxonon-2-enoic acid
(S)-2-[(2-Methyl-1-oxopropyl)amino]-N-(2-phenylethyl)pentanediamide
(+)-7-(2-hydroxy-3-methyl-butyl)-6-methoxy-9-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one|(+)-lunidine|Lunidin|Lunidine
(2S,4S,10R)-4-(3-hydroxy-4-methoxyphenyl)-quinolizidin-2-acetate
4-methoxy-1-methyl-3-(2S-acetoxy-3-hydroxy-butyl)-2-quinolone
9-(4-aminophenyl)-3,7-O-cyclo-2,4,6-trimethyl-9-oxo-nonanoic acid
8-(4-O-methyl-alpha-rhamnopyranosyloxy)-2-methyquinoline
(E)-N-(4-hydroxy-3-methoxybenzyl)-8-methyl-6-decenamide|homocapsaicin|Homocapsaicin II|homocapsaicin-II
(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
(2R)-2-acetamido-3-(5-hydroxy-2-pentyloxolan-3-yl)sulfanylpropanoic acid
HomocapsaicinII
Homocapsaicin II is a natural product found in Capsicum annuum with data available.
chloroquine
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BA - Aminoquinolines COVID info from Guide to PHARMACOLOGY, DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D018501 - Antirheumatic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-[(tert-butyl)oxycarbonyl]-3-benzylpiperidine-3-carboxylic acid
(5-Isopropoxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-y l)boronic acid
N2-CYCLOPROPYL-N3-(PIPERIDIN-4-YL)QUINOXALINE-2,3-DIAMINE HYDROCHLORIDE
3-N-BOC-AMINO-1-(2-AMINO-1-M-TOLYL-ETHYL)-PYRROLIDINE
TERT-BUTYL 2-(4-(METHOXYCARBONYL)-2-METHYLPHENYL)PYRROLIDINE-1-CARBOXYLATE
4-BENZYL-1-(TERT-BUTOXYCARBONYL)PIPERIDINE-4-CARBOXYLIC ACID
Proquinolate
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent
butanedioic acid,1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
TERT-BUTYL-N-(2-[2-AMINO-4-(TRIFLUOROMETHYL)ANILINO]ETHYL)CARBAMATE
N[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]-SUCCINAMIC ACID
[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-azido-6-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl acetate
Butanoic acid, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-3-methyl-, 1,1-dimethylethyl ester, (2R)-
Methenamine hippurate
C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
1-Benzyl 3-methyl 3-isopropyl-1,3-piperidinedicarboxylate
calcium 2-[[(2-aminoethyl)amino]methyl]-4-dodecylphenolate (1:2)
2-(DICYCLOHEXYLPHOSPHINOETHYL)TRIMETHYLAMMONIUM CHLORIDE
Butanoic acid, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-3-methyl-, 1,1-dimethylethyl ester, (2S)-
(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-ETHYLPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
[1-(4-amino-benzoyl)-piperidin-4-yl]-carbamic acid tert-butyl ester
TERT-BUTYL 4-HYDROXYSPIRO[CHROMAN-2,4-PIPERIDINE]-1-CARBOXYLATE
3-(4-Cyanophenyl)propenoic acid 4-pentylphenyl ester
(1S,2S)-1-(DIPHENYLPHOSPHINO)-1-PHENYLPROPAN-2-AMINE
tert-butyl 4-(4-formylbenzyloxy)piperidine-1-carboxylate
ethyl (E,2S)-2-(tert-butoxycarbonylamino)-5-phenyl-pent-3-enoate
N-[N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)aminocarbonyl]-L-valine lithium salt
Butopiprine
C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent
tert-Butyl 4-[(2-aminobenzene)amido]piperidine-1-carboxylate
Carbamic acid, N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 1,1-dimethylethyl ester
(2R)-2-(Hydroxymethyl)-3-(cyclopentyl)-N-(phenylmethoxy)hexanamide
1-(2-Ethylbutyl)-N-(2-sulfanylphenyl)cyclohexanecarboxamide
1-BOC-4-[METHYL-(2-PYRIDIN-2-YL-ETHYL)-AMINO]-PIPERIDINE
N-(4-FLUORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL)CYCLOPENTANAMINE
Cilansetron
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AE - Serotonin receptor antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist
N-[1-(benzylamino)-4-methyl-1-oxopentan-2-yl]-N-tert-butylcarbamate
1,3-Piperidinedicarboxylic acid, 3-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, (3R)-
(2S)-5-Oxo-1,2-pyrrolidinedicarboxylic acid 2-(1,1-dimethylethyl) 1-(phenylmethyl) ester
(E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine
Tert-Butyl 6-Fluoro-3-Oxo-2,3-Dihydrospiro[Indene-1,4-Piperidine]-1-Carboxylate
(4-amino-3-methyl-phenyl)-bis(4-aminophenyl)methanol
4-(2-AMINO-PHENYLCARBAMOYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
tert-butyl 4-[(3-aminophenyl)carbamoyl]piperidine-1-carboxylate
4-(4-AMINO-PHENYLCARBAMOYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
[1-(3-AMINO-BENZOYL)-PIPERIDIN-4-YL]-CARBAMIC ACID TERT-BUTYL ESTER
4-CARBOXYMETHYL-4-PHENYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Tert-butyl-n-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
tert-butyl 4-[3-[(methylamino)methyl]benzyl]tetrahydro-1(2h)-pyrazinecarboxylate
1-(1-Acetyl-piperidin-4-yl)-3-adamantan-1-yl-urea
D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D004791 - Enzyme Inhibitors
Tesmilifene hydrochloride
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C210 - Immunoadjuvant > C2141 - Chemo Immunostimulant Adjuvant C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent C2140 - Adjuvant
Dalcotidine
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist
(2R)-2-acetamido-3-(4-hydroxy-1-oxononan-3-yl)sulfanylpropanoic acid
1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl-
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
(2S,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
N-{[(3,5-Di-tert-butyl-4-hydroxyphenyl)methoxy]methyl}prop-2-enamide
1H-Indole-3-acetic acid, 1-(trimethylsilyl)-, trimethylsilyl ester
6-Amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-G]quinazolin-8-one
Imidafenacin
G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BD - Drugs for urinary frequency and incontinence C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent Imidafenacin (KRP-197; ONO-8025) is a potent and selective inhibitor of M3 receptors.
1-[3-(3,4,5-Trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one
(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoate
15(R)-Hete(1-)
A 15-HETE(1-) that is the conjugate base of 15(R)-HETE(1-), obtained by deprotonation of the carboxy group; major species at pH 7.3.
Trimethyl-[2-methyl-4-[oxo(1-piperidinyl)methoxy]-5-propan-2-ylphenyl]ammonium
5(S)-Hete(1-)
An icosanoid anion that is the conjugate base of 5(S)-HETE, obtained by deprotonation of the hydroxy group; major species at pH 7.3.
12(R)-Hete(1-)
A polyunsaturated fatty acid anion that is the conjugate base of 12(R)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
12(S)-Hete(1-)
An icosanoid anion that is the conjugate base of 12(S)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(5Z)-7-{3-[(2Z,5Z)-undeca-2,5-dien-1-yl]oxiran-2-yl}hept-5-enoate
4-{3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trien-1-yl]oxiran-2-yl}butanoate
(5Z,8Z,11Z)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoate
(2S)-2-Hydroxy-2-(propan-2-yl)butanedioylcarnitine
Methyl 3-benzoyloxy-2-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
(Z)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine
1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-2-one
(2S)-2-cyano-1-(4-phenyl-L-phenylalanyl)pyrrolidine
18(R)-Hete(1-)
A 18-HETE(1-) that is the conjugate base of 18(R)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Leu-Thr-Ser
A tripeptide composed of L-leucine, L-threonine and L-serine joined in sequence by peptide linkages.
Ethyl 4-(2-benzamidoethylamino)piperidine-1-carboxylate
2-[(7-Hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylamino]-4-methylpentanoic acid
(14S,15R)-Eet(1-)
A 14,15-EET(1-) that is the conjugate base of (14S,15R)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(5Z,9E,11Z,14Z)-8-hydroxyicosa-5,9,11,14-tetraenoate
(5Z,8Z,10E,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate
11(R)-Hete(1-)
An 11-HETE(1-) that is the conjugate base of 11(R)-HETE(1-), obtained by deprotonation of the carboxy group; major species at pH 7.3.
5-(4-Methoxyphenyl)-7-(4-methylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine
(8S,9R)-Eet(1-)
An 8,9-EET(1-) that is the conjugate base of (8S,9R)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(8R,9S)-Eet(1-)
An 8,9-EET(1-) that is the conjugate base of (8R,9S)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.
4-[4-[Cyclohexyloxy(oxo)methyl]anilino]-4-oxobutanoic acid
(14R,15S)-Eet(1-)
A 14,15-EET(1-) that is the conjugate base of (14R,15S)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(11S,12R)-Eet(1-)
An 11,12-EET(1-) that is the conjugate base of (11S,12R)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(11R,12S)-Eet(1-)
An 11,12-EET(1-) that is the conjugate base of (11R,12S)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.
N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
2,3-Dihydro-1,4-dioxin-5-carboxylic acid [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] ester
(5Z,8Z,11Z,13E)-15-Hete(1-)
An icosanoid anion that is the conjugate base of 15-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
1-methyl-N-[4-(4-morpholinyl)phenyl]-2-quinolinimine
(5Z,8Z,11Z,14Z,16S)-16-hydroxyeicosa-5,8,11,14-tetraenoate
13(S)-Hete(1-)
A 13-HETE anion that is the conjugate base of 13(S)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(5Z,8Z,11Z,14Z)-10-hydroxyicosa-5,8,11,14-tetraenoate
(3Z)-3-[(2E,4E,6E)-1-hydroxydodeca-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
(5Z,8Z,11Z,14Z,16R)-16-Hydroxyeicosa-5,8,11,14-tetraenoate
N-cycloheptyl-2-[(E)-(3-nitrophenyl)methylideneamino]oxyacetamide
N-[2-(3,4-diethoxyphenyl)ethyl]cyclohexanecarboxamide
(1S,9R,10R,11R)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-12-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1R,9S,10S,11S)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-12-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
8(S)-Hete(1-)
An icosanoid anion that is the conjugate base of 8(S)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(5Z,8Z,12E,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate
(2E,6E,10E,14E)-omega-hydroxygeranylgeranate
A polyunsaturated fatty acid anion resulting from the removal of a proton from the carboxy group of (2E,6E,10E,14E)-omega-hydroxygeranylgeranic acid; major species at pH 7.3.
[(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
(E)-1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
3-(2-aminoethyl)-6-methoxy-1H-indol-5-ol;2-amino-3-methyl-4H-imidazol-5-one
(5Z,8Z,11S,12E,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate
(3R)-9-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxynonanoate
(3R,8R)-8-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxynonanoate
3-(2-aminoethyl)-7-methoxy-1H-indol-5-ol;2-amino-3-methyl-4H-imidazol-5-one
(5Z,7E,11Z,14Z)-9-hydroxyicosa-5,7,11,14-tetraenoate
4-(2,3-Diacetyloxypropoxy)-2-(trimethylazaniumyl)butanoate
N-(2-Propenoxybenzylidene)bis(trimethylsilyl)methylamine
2,8-Dimethyl-5-(2-(6-methyl-3-pyridyl)ethyl)-1,2,3,4-tetrahydro-gamma-carboline
15(S)-HETE(1-)
A polyunsaturated hydroxy fatty acid anion that is the conjugate base of 15(S)-HETE.
11,12-EET(1-)
A polyunsaturated fatty acid anion that is the conjugate base of 11,12-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.
20-HETE(1-)
An omega-hydroxy fatty acid anion that is the conjugate base of omega-hydroxyarachdonic acid (20-HETE), obtained by deprotonation of the carboxy group; major species at pH 7.3.
8,9-EET(1-)
An icosanoid anion that is the conjugate base of 8,9-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.
5,6-EET(1-)
An EET(1-) that is the conjugate base of 5,6-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.
18-HETE(1-)
A hydroxy fatty acid anion that is the conjugate base of 18-hydroxyarachidonic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
12-HETE(1-)
An icosanoid anion that is the conjugate base of 12-HETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
11-HETE(1-)
An icosanoid anion that is the conjugate base of 11-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
11(S)-HETE(1-)
An 11-HETE(1-) that is the conjugate base of 11(S)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
9-HETE(1-)
A HETE anion that is the conjugate base of 9-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
5-oxo-ETrE(1-)
An icosanoid anion that is the conjugate base of (6E,8Z,11Z)-5-oxoicosatrienoic acid (5-oxo-ETrE), obtained by deprotonation of the carboxy group; major species at pH 7.3.
8-HETE(1-)
An icosanoid anion that is the conjugate base of 8-HETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
5-HETE(1-)
An unsaturated fatty acid anion that is the conjugate base of 5-hydroxy-6E,8Z,11Z,14Z-icosatetraenoic acid, obtained by deprotonation of the carboxy group.
19-HETE(1-)
A polyunsaturated fatty acid anion that is the conjugate base of 19-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
16(R)-HETE(1-)
A 16-HETE(1-) that is the conjugate base of 16(R)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
16(S)-HETE(1-)
A 16-HETE(1-) that is the conjugate base of 16(S)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
7-HETE(1-)
A HETE anion that is the conjugate base of 7-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
13-HETE(1-)
A HETE anion that is the conjugate base of 13-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
10-HETE(1-)
A HETE anion that is the conjugate base of 10-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
14,15-EET(1-)
An icosanoid anion that is the conjugate base of 14,15-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.
pyranonigrin I
A member of the class of pyrrolidin-2-ones with formula C18H25NO4, originally isolated from Aspergillus niger.
1-Carbazol-9-yl-3-(3,5-dimethyl-pyrazol-1-yl)-propan-2-ol
(4e)-7-(chloromethylidene)-n-(2-phenylethyl)dec-4-enimidic acid
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
(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
(2e)-9-(4-aminophenyl)-7-hydroxy-2,4,6-trimethyl-9-oxonon-2-enoic acid
2-ethyl-1-{[(6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroinden-4-yl)(hydroxy)methylidene]amino}cyclopropane-1-carboxylic acid
(1s,2s)-1-({[(3as,6r,7as)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroinden-4-yl](hydroxy)methylidene}amino)-2-ethylcyclopropane-1-carboxylic acid
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
(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
(5s)-1-hydroxy-4-methoxy-3-methyl-5-octyl-6,7-dihydro-5h-isoquinolin-8-one
4-(3-hydroxy-4-methoxyphenyl)-octahydro-1h-quinolizin-2-yl acetate
8-hydroxy-4,6-dimethyl-17-oxa-2-azatetracyclo[7.6.2.0⁴,¹⁶.0¹²,¹⁶]heptadec-1(15)-ene-3,5,14-trione
n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enimidic acid
n-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enimidic acid
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"}
