Exact Mass: 290.1378838
Exact Mass Matches: 290.1378838
Found 500 metabolites which its exact mass value is equals to given mass value 290.1378838,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Epitulipinolide
Epi-tulipinolide is a germacranolide with formula C17H22O4, originally isolated from Liriodendron tulipifera. It exhibits anti-cancer and anti-oxidant properties. It has a role as an antineoplastic agent, an antioxidant and a plant metabolite. It is a germacranolide and an acetate ester. Epitulipinolide is a natural product found in Cassinia aculeata, Ageratina ligustrina, and Liriodendron tulipifera with data available. A germacranolide with formula C17H22O4, originally isolated from Liriodendron tulipifera. It exhibits anti-cancer and anti-oxidant properties.
5-O-Methylvisamminol
5-O-Methylvisamminol is an oxacycle and an organic heterotricyclic compound. 5-O-Methylvisamminol is a natural product found in Saposhnikovia divaricata, Angelica japonica, and Prionosciadium thapsoides with data available. 5-O-Methylvisamminol, a (furo) chromone identified in the extract of T. glauca, has a limited occurrence in the plant kingdom. 5-O-Methylvisamminol is useful in (chemical) phylogeny and is a possible excellent chemotaxonomic marker (family and/or subfamily level) for Apiaceae[1]. 5-O-Methylvisamminol, a (furo) chromone identified in the extract of T. glauca, has a limited occurrence in the plant kingdom. 5-O-Methylvisamminol is useful in (chemical) phylogeny and is a possible excellent chemotaxonomic marker (family and/or subfamily level) for Apiaceae[1].
Argininosuccinic acid disodium
C10H18N4O6 (290.12262880000003)
Arginosuccinic acid is a basic amino acid. Some cells synthesize it from citrulline, aspartic acid and use it as a precursor for arginine in the urea cycle or Citrulline-NO cycle. The enzyme that catalyzes the reaction is argininosuccinate synthetase. Argininosuccinic acid is a precursor to fumarate in the citric acid cycle via argininosuccinate lyase. Defects in the argininosuccinate lyase enzyme can lead to argininosuccinate lyase deficiency, which is an inborn error of metabolism. Argininosuccinate (ASA) lyase deficiency results in defective cleavage of ASA. This leads to an accumulation of ASA in cells and an excessive excretion of ASA in urine (argininosuccinic aciduria). In virtually all respects, this disorder shares the characteristics of other urea cycle defects. The most important characteristic of ASA lyase deficiency is its propensity to cause hyperammonemia in affected individuals. ASA in affected individuals is excreted by the kidney at a rate practically equivalent to the glomerular filtration rate (GFR). Whether ASA itself causes a degree of toxicity due to hepatocellular accumulation is unknown; such an effect could help explain hyperammonemia development in affected individuals. Regardless, the name of the disease is derived from the rapid clearance of ASA in urine, although elevated levels of ASA can be found in plasma. ASA lyase deficiency is associated with high mortality and morbidity rates. Symptoms of ASA lyase deficiency include anorexia, irritability rapid breathing, lethargy and vomiting. Extreme symptoms include coma and cerebral edema. Arginosuccinic acid is a basic amino acid. Some cells synthesize it from citrulline, aspartic acid and use it as a precursor for arginine in the urea cycle or Citrulline-NO cycle. The enzyme that catalyzes the reaction is argininosuccinate synthetase. Argininosuccinic acid is a precursor to fumarate in the citric acid cycle via argininosuccinate lyase. Defects in the arginosuccinate lyase enzyme can lead to arginosuccinate lyase deficiency. Argininosuccinate (ASA) lyase deficiency results in defective cleavage of ASA. This leads to an accumulation of ASA in cells and an excessive excretion of ASA in urine (arginosuccinic aciduria). In virtually all respects, this disorder shares the characteristics of other urea cycle defects. The most important characteristic of ASA lyase deficiency is its propensity to cause hyperammonemia in affected individuals. ASA in affected individuals is excreted by the kidney at a rate practically equivalent to the glomerular filtration rate (GFR). Whether ASA itself causes a degree of toxicity due to hepatocellular accumulation is unknown; such an effect could help explain hyperammonemia development in affected individuals. Regardless, the name of the disease is derived from the rapid clearance of ASA in urine, although elevated levels of ASA can be found in plasma. ASA lyase deficiency is associated with high mortality and morbidity rates. Symptoms of ASA lyase deficiency include anorexia, irritability rapid breathing, lethargy and vomiting. Extreme symptoms include coma and cerebral edema. [HMDB] KEIO_ID A039; [MS2] KO008844 KEIO_ID A039
Trimethoprim
A pyrimidine inhibitor of dihydrofolate reductase, it is an antibacterial related to pyrimethamine. The interference with folic acid metabolism may cause a depression of hematopoiesis. It is potentiated by sulfonamides and the trimethoprim-sulfamethoxazole combination is the form most often used. It is sometimes used alone as an antimalarial. Trimethoprim resistance has been reported. [PubChem] Trimethoprim. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=738-70-5 (retrieved 2024-07-09) (CAS RN: 738-70-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Carbinoxamine
Carbinoxamine, also known as carbinoxamine maleate or clistin, is a member of the class of compounds known as benzylethers. Benzylethers are aromatic ethers with the general formula ROCR (R = alkyl, aryl; R=benzene). Carbinoxamine is practically insoluble (in water) and a very strong basic compound (based on its pKa). Carbinoxamine can be found in barley and garden onion, which makes carbinoxamine a potential biomarker for the consumption of these food products. Carbinoxamine can be found primarily in blood and urine. In humans, carbinoxamine is involved in the carbinoxamine h1-antihistamine action. Carbinoxamine is a non-carcinogenic (not listed by IARC) potentially toxic compound. Carbinoxamine is a drug which is used for symptomatic relief of seasonal and perennial allergic rhinitis and vasomotor rhinitis, as well as allergic conjunctivitis caused by foods and inhaled allergens. also for the relief of allergic reactions to blood or plasma, and the symptomatic management of mild, uncomplicated allergic skin manifestations of urticaria and angioedema. Carbinoxamine (Clistin, Palgic, Rondec, Rhinopront) is a antihistamine and anticholinergic agent. It was first launched in the United States by the McNeil Corporation under the brand name Clistin. It is now available under the brand name Palgic as 4 mg tablets or 4 mg/5 mL liquid. It is approved by the U.S. Food and Drug Administration (FDA) (specifically at the 4 mg dose/strength) for hay fever (a.k.a. allergic rhinitis, SAR and PAR); vasomotor rhinitis; mild urticaria; angioedema, dermatographism and allergic conjunctivitis. Carbinoxamine is a histamine antagonist, specifically an H1-antagonist. The maleic acid salt of the levorotatory isomer is sold as the prescription drug rotoxamine . Carbinoxamine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. Carbinoxamines anticholinergic action appears to be due to a central antimuscarinic effect, which also may be responsible for its antiemetic effects, although the exact mechanism is unknown (DrugBank). Carbinoxamine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. Carbinoxamines anticholinergic action appears to be due to a central antimuscarinic effect, which also may be responsible for its antiemetic effects, although the exact mechanism is unknown (T3DB). Carbinoxamine is a first generation antihistamine that competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. The product label for carbinoxamine as an over the counter cough and cold medicine is being modified to state do not use in children under 4 years of age in order to prevent and reduce misuse, as many unapproved carbinoxamine-containing preparations contained inappropriate labeling, which promoted unapproved uses (including management of congestion, cough, the common cold, and the use in children under 2 years of age), which can potentially cause serious health risks. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AA - Aminoalkyl ethers D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Tulipinolide
A germacranolide based on a 2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl skeleton.
Laurenobiolide
Laurenobiolide is found in herbs and spices. Laurenobiolide is a constituent of Laurus nobilis (bay laurel). Constituent of Laurus nobilis (bay laurel). Laurenobiolide is found in sweet bay and herbs and spices.
Ribalinium
Ribalinium is found in herbs and spices. Ribalinium is an alkaloid from the leaves of Ruta graveolens (rue). Alkaloid from the leaves of Ruta graveolens (rue). Ribalinium is found in herbs and spices.
Benomyl
Benomyl is an Agricultural and horticultural systemic fungicide mainly used on rice and soybea D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D016573 - Agrochemicals D010575 - Pesticides
1-Dehydro-[6]-gingerdione
1-dehydro-[6]-gingerdione belongs to hydroxycinnamic acids and derivatives class of compounds. Those are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. 1-dehydro-[6]-gingerdione is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 1-dehydro-[6]-gingerdione can be found in ginger, which makes 1-dehydro-[6]-gingerdione a potential biomarker for the consumption of this food product.
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene
This compound belongs to the family of Phenanthrenes and Derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene
This compound belongs to the family of Phenanthrenes and Derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
3-Polyprenyl-4,5-dihydroxybenzoate
This compound belongs to the family of Hydroxybenzoic Acid Derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.
Procaterol
C16H22N2O3 (290.16303419999997)
Procaterol is only found in individuals that have used or taken this drug. It is a long-acting beta-2-adrenergic receptor agonist. It is a potent bronchodilator that may be administered orally or by aerosol inhalation. [PubChem]Beta(2)-receptor stimulation in the lung causes relaxation of bronchial smooth muscle, bronchodilation, and increased bronchial airflow. R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
2-(4-Methyl-3-pentenyl)anthraquinone
2-(4-Methyl-3-pentenyl)anthraquinone is found in fats and oils. 2-(4-Methyl-3-pentenyl)anthraquinone is isolated from the hairy root culture of Sesamum indicum (sesame). Isolated from the hairy root culture of Sesamum indicum (sesame). 2-(4-Methyl-3-pentenyl)anthraquinone is found in fats and oils.
Oudemansin A
Oudemansin A is found in mushrooms. Oudemansin A is a metabolite of Oudemansiella mucida (porcelain fungus). Metabolite of Oudemansiella mucida (porcelain fungus). Oudemansin A is found in mushrooms.
N2-(3-Carboxy-2-hydroxy-1-oxopropyl)arginine
C10H18N4O6 (290.12262880000003)
N2-(3-Carboxy-2-hydroxy-1-oxopropyl)arginine is found in pomes. N2-(3-Carboxy-2-hydroxy-1-oxopropyl)arginine is a constituent of the seeds of Vicia faba and the shoots of apple and pear trees. Constituent of the seeds of Vicia faba and the shoots of apple and pear trees. N2-(3-Carboxy-2-hydroxy-1-oxopropyl)arginine is found in pomes and pulses.
5,6-Dihydro-11-methoxyyangonin
5,6-Dihydro-11-methoxyyangonin is found in beverages. 5,6-Dihydro-11-methoxyyangonin is isolated from Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). Isolated from Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). 5,6-Dihydro-11-methoxyyangonin is found in beverages.
[6]-Dehydrogingerdione
[6]-Dehydrogingerdione is found in herbs and spices. [6]-Dehydrogingerdione is isolated from Zingiber officinale (ginger
N2-(3-Hydroxysuccinoyl)arginine
C10H18N4O6 (290.12262880000003)
N2-(3-Hydroxysuccinoyl)arginine is found in pomes. N2-(3-Hydroxysuccinoyl)arginine is a constituent of the shoots of apple and pear trees. Constituent of the shoots of apple and pear trees. N2-(3-Hydroxysuccinoyl)arginine is found in pomes.
Diisopentyl thiomalate
Diisopentyl thiomalate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Rutalinium
Rutalinium is found in herbs and spices. Rutalinium is an alkaloid from Ruta graveolens (rue), Ruta graveolens ssp. hortensis. Alkaloid from Ruta graveolens (rue), Ruta graveolens sspecies hortensis. Rutalinium is found in herbs and spices.
O-Adipoylcarnitine
C13H24NO6 (290.16035439999996)
O-Adipoylcarnitine is an acylcarnitine. More specifically, it is an adipic 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. O-Adipoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine O-adipoylcarnitine 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].
ARGININOSUCCINATE
C10H18N4O6 (290.12262880000003)
Glycine, N-[1-(phenylacetyl)-L-prolyl]-
Methyl 4-[(propionyl)phenylamino]piperidine-4-carboxylate
C16H22N2O3 (290.16303419999997)
(3R,4R)-7,12-Dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol
Dehydrogingerdione
Dehydrogingerdione is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Dehydrogingerdione is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Dehydrogingerdione can be found in ginger, which makes dehydrogingerdione a potential biomarker for the consumption of this food product.
Laurenoniolide
Laurenoniolide belongs to germacranolides and derivatives class of compounds. Those are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. Laurenoniolide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Laurenoniolide can be found in sweet bay, which makes laurenoniolide a potential biomarker for the consumption of this food product.
Tulipinolide
Tulipinolide belongs to germacranolides and derivatives class of compounds. Those are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. Tulipinolide is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Tulipinolide can be found in sweet bay, which makes tulipinolide a potential biomarker for the consumption of this food product.
Dehydrocurvularin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Acetoxydiplophyllin
3-(Acetyloxy)-5-(1,5-dimethyl-4-hexenyl)-2-methyl-2,5-cyclohexadiene-1,4-dione
9beta-Acetoxytournefortiolide
[1aS-(1aalpha,4alpha,4aalpha,5alpha,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-ol acetate
Toddanone
5,7-Dimethoxy-6-(3-methyl-2-oxobutyl)chromen-2-one is a natural product found in Zanthoxylum asiaticum with data available.
15-Acetoxyisoalloalantolactone
[3aR-(3aR*,5Z,9E,11aS*)]-6-[(Acetyloxy)methyl]-3a,4,7,8,11,11a-hexahydro-10-methyl-3-methylenecyclodeca[b]furan-2(3H)-one
beta-Cyclotulipinolide
2-(Acetyloxy)-1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-ethanone
3beta-Acetoxy-1(5),11(13)-guaiadien-12,8alpha-olide
2alpha-Acetoxysphaerantholide
3-[2-(3,4,5-trimethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one
1-(5,7-dihydroxy-2,2,6-trimethyl-2H-1-benzopyran-8-yl)-2-methyl-1-butanone|3-Methyl-1-(5,7-Dihydroxy-2,2,6-trimethyl-2H-1-benzopyran-8-yl)-2-methyl-1-propanone
3-(6xi-hydroperoxy-3,7-dimethylocta-2,7-dienyl)-4-hydroxybenzaldehyde
1-(4-Hydroxyphenyl)-2-(3-methoxy-4-hydroxyphenyl)propane-1,3-diol
(1E)-5,7-dimethoxy-8-(3-hydroxy-3-methylbut-1-enyl)coumarin|(E)-8-(3-hydroxy-3-methyl-1-butenyl)-5,7-dimethoxycoumarin|5,7-dimethoxy-8-((E)-3-hydroxy-3-methylbut-1-enyl)coumarin|5-methoxymurraol
1.beta.-Acetoxyeudesma-4(15),7(11)-dien-8.alpha.,12-olide
(2E,6E)-8-(2,5-dihydroxyphenyl)-2,6-dimethyl-8-oxo-2,6-octadienoic acid|orirubenone D
(E)-3-(7-hydroperoxy-3,7-dimethylocta-2,5-dienyl)-4-hydroxybenzaldehyde
Thioacetic acid S-[[4,4a,7,8,8a,9-hexahydro-9,9-dimethylnaphtho[2,3-b]furan]-6-yl]methyl ester
3,4-dihydroxy-5-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-2-(3-methylbut-2-en-1-yl)benzaldehyde|sabphenol B
delta5,6-isomer,Ac-(3bata,8alpha)-3-Hydroxy-1(5),11(13)-guaiadien-12,8-olide
Thioacetic acid S-[[4,4a,5,6,8a,9-hexahydro-4,4-dimethylnaphtho[2,3-b]furan]-7-yl]methyl ester
(S)-3,4,4-trihydroxy-5,alpha-dimethoxybibenzyl|dendrocandin C
3H-Oxireno[8,8a]naphtho[2,3-b]furan-5-ol, 1a,2,4,4a,5,9-hexahydro-4,4a,6-trimethyl-, acetate
11beta,13-dihydrozaluzanin C acetate|3beta-Acetoxy-11betaH-guaia-4(15),10(14)-diene-12,6alpha-olide
14-acetoxy-11alphaH,13-dihydroeremanthin|Ac-(1alpha,5alpha,6alpha,11alphaH)-14-Hydroxy-4(15),9-guaiadien-12,6-olide
9-acetoxy-thymol 3-O-tiglate|9-Acetoxythymo l3-O-tiglate|9-Acetoxythymol 3-O-tiglate
(3E,7Z)-1-(2,6-dihydroxy-4-methoxyphenyl)-deca-3,7-dien-1-one|syzygiol B
1beta,13,14-trihydroxy-8,11,13-podocarpatrien-7-one|1beta,13,14-trihydroxypodocarpa-8,11,13-trien-7-one|1??,13,14-Trihydroxy-8,11,13-podocarpatrien-7-one
8beta-methoxyeremophil-3,7(11)-diene-8alpha,12(6alpha,15)-diolide
3-hydroxy-2,2,6-trimethyl-3H-spiro[1-benzofuran-2,1-cyclohexane]-5-carboxylic acid
8-hydroxy-6,7-dimethoxy-3-(2-methylbut-3-en-2-yl)-2H-chromen-2-one|barbatumol A
7-hydroxy-6,8-dimethoxy-3-(2-methylbut-3-en-2-yl)-2H-chromen-2-one|barbatumol B
(E)-4-acetoxy-6-methylene-5-(prop-1-en-2-yl)cyclohex-2-enyl 2-methylbut-2-enoate
2S-isopropenyl-4,8-dimethoxy-5-hydroxy-6-methyl-2,3-dihydrobenzo[1,2-b;5,4-b]difuran
chermesinone A
An azaphilone that is 7,8-dihydro-6H-isochromene substituted by a hydroxy group at position 7, methyl groups at positions 3 and 7 and a 3-methyl-2-oxopentyl group at position 8. It has been isolated from the culture of the mangrove endophytic fungus Penicillium chermesinum.
1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)propane-1,2-diol|peapolyphenol B
N-(4-Chlor-benzyl)-N,N-dimethyl-N-pyrimidin-2-yl-aethylendiamin|N-(4-chloro-benzyl)-N,N-dimethyl-N-pyrimidin-2-yl-ethylenediamine|solamin
2,2-dimethyl-4-oxo-8-(2-oxopropyl)-chroman-6-yl acetate
(1alpha,3alpha,4alpha,5alpha,8alpha)-15-(acetyloxy)linden-7(11)-eno-12,8-lactone|chlojaponilactone E|rel-(4aR,5-S,5aR,6aS,6bR,7aR)-5-[(acetyloxy)methyl]-4a,5,5a,6,6a,7,7a-octahydro-3,6b-dimethylcloprop[2,3]indeno[5,6-b]furan-2(4H)-one
15alpha-ethoxy-1alphaH,5alphaH,6betaH,7alphaH-3-oxo-10(14),11(13)-guaiadien-6,12-olide|ainsliaolide B
15-acetoxy-isogermafurenolide|2-[3,6-dimethyl-2-oxo-6-vinyl-2,4,5,6,7,7alpha-hexahydro-1-benzofuran-5-yl]prop-2-en-1-yl acetate
Dihydroageraton-O-methylaether|Dihydroageratone -6-Me ether
Laurenobiolide
A germacranolide isolated from Laurus nobilis L. and which has been shown to exhibit allergenic activity.
3-(4-acetoxyprenyl)-7E-p-coumaric acid|3-<4-acetoxyprenyl>-7E-p-coumaric acid
Me glycoside,2,3-O-isopropulidene,4-Ac,6-Me-Talose,
4-[2-(5-Hydroxy-1H-indole-3-yl)ethylamino]-4-oxobutyric acid methyl ester
3beta,13,14-trihydroxy-8,11,13-podocarpatrien-7-one|3beta,13,14-trihydroxypodocarpa-8,11,13-trien-7-one
6-Isobutyryl-5,7-dimethoxy-2,2-dimethyl-benzopyran
4.Xi.,5.xi.,7.xi.-Guaia-1(10),11(13)-dien-12-oic acid, 4,8-dihydroxy-, .gamma.-lactone, acetate
3-(3-Methyl-2-butenyl)-4-(3-methylbutyryl)oxybenzoic acid
(R)-4,5-dimethoxy-3-(4-phenyl-2-oxobutyl)-5H-furan-2-one|fissohamione
(3S,8S)-cordiarimide B|cordiarimide B|N-[(S)-1-[(S)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide
15-Aldehyde,Me ester-(1(10)E,4E,6alpha)-15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid|Methyl 15-oxogermacra-1(10)E,4E,11(13)-trien-6alpha,12-olide-14-oic acid
n-(6-hydroxyindol-3-ylacetyl)-valine
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
Toddanol
(-)-Toddanol is a natural product found in Zanthoxylum asiaticum with data available.
Artain
Artanin is a natural product found in Artemisia tanacetifolia and Artemisia atrata with data available.
6-Dehydrogingerdione
[6]-Dehydrogingerdione is a hydroxycinnamic acid. [6]-Dehydrogingerdione is a natural product found in Curcuma longa and Zingiber officinale with data available.
Trimethioprim
Trimethoprim. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=738-70-5 (retrieved 2024-07-09) (CAS RN: 738-70-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
8-(2-hydroxy-1-methoxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
8-(2-hydroxy-1-methoxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
C17H22O4_3-(5,9-Dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1~7,10~.0~1,6~]tridec-2-en-5-yl)propanoic acid
C16H18O5_(8E)-11,13-Dihydroxy-4-methyl-4,5,6,7-tetrahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione
C17H22O4_3,8a-Dimethyl-5-methylene-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-8-yl acetate
C16H22N2O3_4,6,8-Decatrienamide, 3-hydroxy-2,2,4-trimethyl-10-(5-oxazolyl)-, (3R,4Z,6Z,8E)
C16H22N2O3 (290.16303419999997)
C17H22O4_(6E,10E)-6,10-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl acetate
8-(2-hydroxy-1-methoxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
Argininosuccinic acid
C10H18N4O6 (290.12262880000003)
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; KDZOASGQNOPSCU_STSL_0151_Argininosuccinic acid_8000fmol_180506_S2_LC02_MS02_235; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
8-(2-hydroxy-1-methoxy-3-methylbut-3-enyl)-7-methoxychromen-2-one_major
Ala Gly Gly Ser
C10H18N4O6 (290.12262880000003)
Ala Gly Ser Gly
C10H18N4O6 (290.12262880000003)
Ala Ser Gly Gly
C10H18N4O6 (290.12262880000003)
Gly Ala Gly Ser
C10H18N4O6 (290.12262880000003)
Gly Ala Ser Gly
C10H18N4O6 (290.12262880000003)
Gly Gly Ala Ser
C10H18N4O6 (290.12262880000003)
Gly Gly Gly Thr
C10H18N4O6 (290.12262880000003)
Gly Gly Ser Ala
C10H18N4O6 (290.12262880000003)
Gly Gly Thr Gly
C10H18N4O6 (290.12262880000003)
Gly Ser Ala Gly
C10H18N4O6 (290.12262880000003)
Gly Ser Gly Ala
C10H18N4O6 (290.12262880000003)
Gly Thr Gly Gly
C10H18N4O6 (290.12262880000003)
Ser Ala Gly Gly
C10H18N4O6 (290.12262880000003)
Ser Gly Ala Gly
C10H18N4O6 (290.12262880000003)
Ser Gly Gly Ala
C10H18N4O6 (290.12262880000003)
Thr Gly Gly Gly
C10H18N4O6 (290.12262880000003)
(R,S)-Procaterol
C16H22N2O3 (290.16303419999997)
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
N2-(3-Hydroxysuccinoyl)arginine
C10H18N4O6 (290.12262880000003)
Ribalinium
5,6-Dihydro-11-methoxyyangonin
N2-(2-Hydroxysuccinoyl)arginine
C10H18N4O6 (290.12262880000003)
4-(4-BENZYL-1,4-DIAZEPAN-1-YL)-4-OXOBUTANOICACID
C16H22N2O3 (290.16303419999997)
8,8-Diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid
ethyl 1-(aminomethyl)-6,8-dimethoxyisoquinoline-4-carboxylate
4-Hydroxy-8-isopropyl-6,7-dimethoxy-2-naphthoic acid
(3R,4R)-N,4-Dimethyl-1-(phenylmethyl)-3-piperidinamine hydrochloride
C14H24Cl2N2 (290.13164439999997)
1-(3-NITROPHENYLSULFONYL)PYRROLIDINE
C14H24Cl2N2 (290.13164439999997)
1(2H)-Quinolinecarboxylic acid, 3-(acetylamino)-3,4-dihydro-, 1,1-dimethylethyl ester
C16H22N2O3 (290.16303419999997)
1-Boc-4-(4-Formylphenyl)piperazine
C16H22N2O3 (290.16303419999997)
(3S)-1,3-DIOXANE-2-METHYL-4-CARBOXYLICACID
C16H22N2O3 (290.16303419999997)
TERT-BUTYL 1H-SPIRO[FURO[3,4-C]PYRIDINE-3,4-PIPERIDINE]-1-CARBOXYLATE
C16H22N2O3 (290.16303419999997)
N4-(3-ETHYNYLPHENYL)-7-METHOXYQUINAZOLINE-4,6-DIAMINE
5-Amino-3-(1-naphthyl)-4-cyano-1-tert-butylpyrazole
methyl 2-methylprop-2-enoate,2-methylprop-2-enoic acid,styrene
5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carbohydrazide
Ethyl piperidinoacetylaminobenzoate
C16H22N2O3 (290.16303419999997)
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
4-(3,5-DIMETHYL-ISOXAZOL-4-YLMETHOXY)-BENZALDEHYDE
6-Cbz-2,2-dimethylhexahydropyrrolo[3,4-d]-1,3-oxazine
C16H22N2O3 (290.16303419999997)
1-TERT-BUTYL 5-METHYL 3-METHYL-1H-INDAZOLE-1,5-DICARBOXYLATE
4-BENZYL-3-OXOPIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C16H22N2O3 (290.16303419999997)
3-(Triethoxysilyl)propyl methacrylate
C13H26O5Si (290.15494259999997)
N-METHYL-N-[4-(PIPERIDIN-1-YLMETHYL)BENZYL]AMINE DIHYDROCHLORIDE
C14H24Cl2N2 (290.13164439999997)
1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxylic acid
C12H22N2O4S (290.13002120000004)
1H-Indole-3-acetonitrile, a,a-dimethyl-6-(phenylmethoxy)-
Ethyl 4-hydroxy-1-isopropyl-7-methyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate
ETHYL 4-HYDROXY-7-METHYL-2-OXO-1-PROPYL-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
2-Cyclopropyl-7,8-dimethoxy-2H-chromene-5-carboxylic acid methyl ester
Dihydro-1-((4-butoxyphenyl)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
C16H22N2O3 (290.16303419999997)
(S)-1-PYRROLIDIN-2-BENZYL-2-(N-CBZ-N-METHYL)AMINO-ETHANE
C16H22N2O3 (290.16303419999997)
4-(2-PIPERIDIN-1-YL-PHENYLCARBAMOYL)BUTYRIC ACID
C16H22N2O3 (290.16303419999997)
2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]-5-nitro-1H-indole
C16H22N2O3 (290.16303419999997)
1-(2-HYDROXY-2-METHYLPROPYL)-5-METHYL-3-OXO-2-PHENYL-2,3-DIHYDROPYRAZOLE-4-CARBOXYLIC ACID
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-thienylmethyl)-1H-pyrazole
1-[1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
2-TERT-BUTOXYCARBONYLAMINO-3-(4-CYANO-PHENYL)-PROPIONIC ACID
1,2-o-isopropylidene-3-benzoyloxy-5,6-dideoxy-glucofuranose
1-Ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyrid ine-5-carboxylic acid
Diethyl 2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarboxylate
(5-TERT-BUTYL-2-HYDROXYPHENYL)(1-PHENYL-1H-PYRAZOL-4-YL)METHANONE
C15H22N2O2Si (290.14504719999996)
(3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine
C14H24Cl2N2 (290.13164439999997)
3-(4-chlorophenyl)-N,N-dimethyl-3-(2-pyridyl)propan-1-amine oxide
4-[4-(1-Benzothiophen-4-yl)-1-piperazinyl]-1-butanol
benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride(dr>98/2)
C14H24Cl2N2 (290.13164439999997)
tetrahydrofuran-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
3-Piperidinamine,N,4-dimethyl-1-(phenylmethyl)-,hydrochloride (1:2),(3S,4R)-
C14H24Cl2N2 (290.13164439999997)
2-Propenoic acid 4-[(4-propylphenyl)ethynyl]phenyl ester
(3aR,5R,6S,6aR)-5-(2-hydroxy-3-(trimethylsilyl)propyl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol
C13H26O5Si (290.15494259999997)
Tris(trimethylsilyl)silyloxyethylene,Vinyloxytris(trimethylsilyl)silane
1-CYANO-2-ETHOXYCARBONYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE
1-Octyl-2,3-Dimethylimidazolium Bromide
C13H27BrN2 (290.13574819999997)
1-Boc-4-(2-Formylphenyl)piperazine
C16H22N2O3 (290.16303419999997)
N-(2-(Trimethylsilyl)furo[3,2-b]pyridin-7-yl)pivalamide
C15H22N2O2Si (290.14504719999996)
1-(7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d][1,3]dioxol-5-yl)ethanone
N-[(4-methyl-5-phenyldiazenyl-2-imidazolylidene)amino]aniline
1-benzyl-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carbaldehyde
2-(cyclohexylamino)-N-(4-ethylphenyl)-2-sulfanylideneacetamide
5-Amino-3-(1-naphthalenylmethyl)-1-propan-2-yl-4-pyrazolecarbonitrile
Pentanedioic acid, 3-methyl-, bis(trimethylsilyl) ester
C12H26O4Si2 (290.13695559999996)
(2R)-2-[[N-[(4S)-4-amino-4-carboxybutyl]carbamimidoyl]amino]butanedioic acid
C10H18N4O6 (290.12262880000003)
3-Hydroxymethyl-5-aziridinyl-1methyl-2-[1h-indole-4,7-dione]-propanol
Methyl (3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoate
80681-42-1
5-O-Methylvisamminol, a (furo) chromone identified in the extract of T. glauca, has a limited occurrence in the plant kingdom. 5-O-Methylvisamminol is useful in (chemical) phylogeny and is a possible excellent chemotaxonomic marker (family and/or subfamily level) for Apiaceae[1]. 5-O-Methylvisamminol, a (furo) chromone identified in the extract of T. glauca, has a limited occurrence in the plant kingdom. 5-O-Methylvisamminol is useful in (chemical) phylogeny and is a possible excellent chemotaxonomic marker (family and/or subfamily level) for Apiaceae[1].
1beta-Acetoxyeudesma-4(15),7(11)-dien-8alpha,12-olide
2-Hydroxy-3-methoxy-6-methyl-5,8-dioxo-4-propan-2-yl-6,7-dihydronaphthalene-1-carbaldehyde
2-[[2-(6-Hydroxy-1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
Platensic Acid
A polycyclic cage attached to a 2-carboxyethyl side chain. It is isolated from Streptomyces platensis.
(2S)-3-methyl-2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]butanoic acid
[(2R)-3-carboxy-2-(5-carboxypentanoyloxy)propyl]-trimethylazanium
C13H24NO6+ (290.16035439999996)
[3-Carboxy-2-(5-carboxypentanoyloxy)propyl]-trimethylazanium
C13H24NO6+ (290.16035439999996)
[3-Carboxy-2-(4-ethoxy-4-oxobutanoyl)oxypropyl]-trimethylazanium
C13H24NO6+ (290.16035439999996)
[(2R)-3-carboxy-2-[(3R)-4-carboxy-3-methylbutanoyl]oxypropyl]-trimethylazanium
C13H24NO6+ (290.16035439999996)
9-acetoxythymol 3-O-tiglate
A natural product found in Eupatorium cannabinum subspecies asiaticum.
Dendrocandin C
A diphenylethane that is 1,2-dihydrostilbene substituted by hydroxy groups at positions 3, 4 and 4 and methoxy groups at C-5 and alpha-position respectively (the S stereoisomer). It is isolated from the stems of Dendrobium candidum and exhibits antioxidant activity.
3-chloro-N-methyl-N-[4-(1-pyrrolidinyl)but-2-ynyl]benzamide
4-amino-N-[(1E)-(3,4-dimethoxyphenyl)methylene]-1,2,5-oxadiazole-3-carbohydrazonamide
N-(2-oxoazepan-3-yl)-N-(pyridin-3-ylmethyl)oxamide
2S-Isopropenyl-4,8-dimethoxy-5-hydroxy-6-methyl-2,3-dihydrobenzo[1,2-b:5,4-b]difuran
A natural product found in Cyperus teneriffae.
[(4S,5E,9E)-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,7,8,11,11a-octahydrocyclodeca[b]furan-4-yl] acetate
2,6-Dimethyl-4-(1-phenyl-4-pyrazolyl)furo[2,3-d]pyrimidine
N-[(4-methylphenyl)methyl]-4-(1-pyrrolyl)benzamide
4-[[1-Azepanyl(oxo)methyl]amino]benzoic acid ethyl ester
C16H22N2O3 (290.16303419999997)
1-(2,3-Dimethyl-6-quinoxalinyl)-3-(3-hydroxypropyl)thiourea
C14H18N4OS (290.12012580000004)
3,5-dimethyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
6-methoxy-2-(3-phenyl-2-propenylidene)-3,4-dihydro-1(2H)-naphthalenone
ethyl 3-amino-7,7-dimethyl-7,8-dihydro-5H-furo[2,3-b]pyrano[3,4-e]pyridine-2-carboxylate
Ethyl 1-(4-acetyl-2-aminophenyl)piperidine-4-carboxylate
C16H22N2O3 (290.16303419999997)
7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptanoic acid
(6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptanoic acid
(2S,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-2-phenylethenyl]phenyl]azetidine-2-carbonitrile
tert-butyl N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]carbamate
(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-2-phenylethenyl]phenyl]azetidine-2-carbonitrile
3-carboxy-2-[(4-carboxy-3-methylbutanoyl)oxy]-N,N,N-trimethylpropan-1-aminium
C13H24NO6+ (290.16035439999996)
[(2R)-3-carboxy-2-(4-carboxy-3-methylbutanoyl)oxypropyl]-trimethylazanium
C13H24NO6+ (290.16035439999996)
(9Z)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraene-3,11-dione
1-Phenyl-1-(5-methyl-3-phenyl-2-furyl)acetone (3,3,3-D3)
2-(Phenylethynyl)-1,1,1,2,3,3,3-heptamethyltrisilane
2,2,4,4,6,6,8,8-Octamethyl-1,5-diaza-2,4,6,8-tetrasilacyclooctane
2-(3-Chloropropionyl)-5,7-dimethyl-1,2,3,4-tetrahydropyrimido(1,6-A)indole
1,3-Dimethyl-4,6-diphenyl-2-oxabicyclo(4.1.0)hept-3-EN-5-one
2-[(Z)-2,4-Hexadiynylidene]-3-acetoxy-1,6-dioxaspiro[4.5]decan-4-ol
carbinoxamine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AA - Aminoalkyl ethers D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,5-dihydroxybenzoic acid
(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-6-ol
trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene
Benlate
D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D016573 - Agrochemicals D010575 - Pesticides
(N(omega)-L-arginino)succinic acid
C10H18N4O6 (290.12262880000003)
N2-(3-Carboxy-2-hydroxy-1-oxopropyl)arginine
C10H18N4O6 (290.12262880000003)
alpha,beta-Dehydrocurvularin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
11,13-dihydroxy-4-methyl-2,4,5,6,7,10-hexahydro-1H-3-benzoxacyclododecine-2,10-dione
2-naphthyl alpha-L-fucoside
An alpha-L-fucoside that is alpha-L-fucopyranose in which the anomeric hydroxy hydrogen is replaced by a 2-naphthyl group.
4,5,4-trihydroxy-3,3-dimethoxybibenzyl
A diphenylethane that is 1,2-dihydrostilbene substituted by hydroxy groups at positions 4, 4, and 5 and a methoxy groups at positions 3 and 3. It is isolated from Dendrobium ellipsophyllum and sensitizes lung cancer cells to anoikis.
M4 mAChR agonist-1
C14H18N4OS (290.12012580000004)
M4 mAChR agonist-1 (compound 10a) is a potent M4 mAChR agonist with an EC50 >10 μM for human M4[1].