Exact Mass: 274.1627596
Exact Mass Matches: 274.1627596
Found 500 metabolites which its exact mass value is equals to given mass value 274.1627596,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
α-Obscurine
Alpha-Obscurine is a sesquiterpenoid. alpha-Obscurine is a natural product found in Diphasiastrum digitatum, Dendrolycopodium dendroideum, and other organisms with data available.
Podocaric Acid
Podocarpic acid is an abietane diterpenoid lacking the isopropyl substituent with an aromatic C-ring and a hydroxy group at the 12-position. It derives from a hydride of a podocarpane. Podocarpic acid is a natural product found in Podocarpus fasciculus, Nageia wallichiana, and other organisms with data available. Podocarpic acid is a natural product, which has the best all-round positive effect and acts as a novel TRPA1 activator.
Nandrolone
Nandrolone is a C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of estradiol to resemble testosterone, but it has one less carbon atom at the 19 position (Pubchem). Nandrolone is an anabolic steroid occurring naturally in the human body, albeit in small quantities. Nandrolone is most commonly sold commercially as its decanoate ester (Deca-Durabolin) and less commonly as a phenylpropionate ester (Durabolin). Nandrolone use is indirectly detectable in urine tests by testing for the presence of 19-norandrosterone, a metabolism product of this molecule. The International Olympic Committee has set a limit of 2 ng per ml of urine as the upper limit, beyond which an athlete is suspected of doping (Wikipedia). Nandrolone is a C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of estradiol to resemble testosterone but less one carbon at the 19 position. -- Pubchem; Nandrolone is an anabolic steroid occurring naturally in the human body, albeit in small quantities. Nandrolone is most commonly sold commercially as its decanoate ester (Deca-Durabolin) and less commonly as a phenylpropionate ester (Durabolin). Nandrolone use is indirectly detectable in urine tests by testing for the presence of 19-norandrosterone, a metabolism product of this molecule. The International Olympic Committee has set a limit of 2 ng per ml of urine as the upper limit, beyond which an athlete is suspected of doping. -- Wikipedia [HMDB] A - Alimentary tract and metabolism > A14 - Anabolic agents for systemic use > A14A - Anabolic steroids > A14AB - Estren derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D000728 - Androgens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid S - Sensory organs > S01 - Ophthalmologicals
Chlorpheniramine
Chlorpheniramine is a histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than Promethazine. -- Pubchem; Chlorphenamine or chlorpheniramine, commonly marketed as its salt chlorphenamine maleate (Chlor- Trimeton, Piriton, Chlor- Tripolon), is a first generation antihistamine used in the prevention of the symptoms of allergic conditions such as rhinitis and urticaria.- wikipedia. A histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than Promethazine. -- Pubchem; Chlorphenamine or chlorpheniramine, commonly marketed as its salt chlorphenamine maleate (Chlor- Trimeton, Piriton, Chlor- Tripolon), is a first generation antihistamine used in the prevention of the symptoms of allergic conditions such as rhinitis and urticaria.- wikipedia [HMDB] R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
Ropivacaine
Ropivacaine is only found in individuals that have used or taken this drug. It is a local anaesthetic drug belonging to the amino amide group. The name ropivacaine refers to both the racemate and the marketed S-enantiomer. Ropivacaine hydrochloride is commonly marketed by AstraZeneca under the trade name Naropin. [Wikipedia]Local anesthetics such as Ropivacaine block the generation and the conduction of nerve impulses, presumably by increasing the threshold for electrical excitation in the nerve, by slowing the propagation of the nerve impulse, and by reducing the rate of rise of the action potential. Specifically, they block the sodium-channel and decrease chances of depolarization and consequent action potentials. In general, the progression of anesthesia is related to the diameter, myelination and conduction velocity of affected nerve fibers. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BB - Amides D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
N2-Succinoylarginine
N2-Succinoylarginine is found in pomes. N2-Succinoylarginine is a constituent of the shoots of pear trees Busulfan is an antineoplastic in the class of alkylating agents and is used to treat various forms of cancer. Alkylating agents are so named because of their ability to add alkyl groups to many electronegative groups under conditions present in cells. They stop tumor growth by cross-linking guanine bases in DNA double-helix strands - directly attacking DNA. This makes the strands unable to uncoil and separate. As this is necessary in DNA replication, the cells can no longer divide. In addition, these drugs add methyl or other alkyl groups onto molecules where they do not belong which in turn inhibits their correct utilization by base pairing and causes a miscoding of DNA. Alkylating agents are cell cycle-nonspecific. Alkylating agents work by three different mechanisms all of which achieve the same end result - disruption of DNA function and cell death. D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents Constituent of the shoots of pear trees
4,4-dihydroxy-3,5-dimethoxybibenzyl
A stilbenoid that is ethane in which one of the hydrogens is replaced by a 4-hydroxyphenyl group and one of the hydrogens of the remaining methyl group is replaced by a 4-hydroxy-3,5-dimethoxyphenyl group.
Cinmethylin
4-Hydroxy-3-polyprenylbenzoate
This compound belongs to the family of Aromatic Monoterpenes. These are monoterpenes containing at least one aromatic ring D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
2-Polyprenyl-6-methoxy-1,4-benzoquinone
This compound belongs to the family of Prenylquinones. These are quinones whose structure is charaterized by the quinone ring substitued by an prenyl side-chain.
Dexchlorpheniramine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines Dexchlorpheniramine is the S-enantiomer of chlorphenamine (chloropheniramine) and is a first-generation alkylamine H1-antihistamine. D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Adelmidrol
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C29714 - Mast Cell Stabilizer Adelmidrol exerts important anti-inflammatory effects that are partly dependent on PPARγ. Adelmidrol reduces NF-κB translocation, and COX-2 expression.
[6]-Dehydroshogaol
[6]-Dehydroshogaol is found in herbs and spices. [6]-Dehydroshogaol is a constituent of ginger (Zingiber officinale) rhizomes. Constituent of ginger (Zingiber officinale) rhizomes. [6]-Dehydroshogaol is found in herbs and spices.
3-(1,1-Dimethyl-2-propenyl)-7,8-dimethoxy-2H-1-benzopyran-2-one
3-(1,1-Dimethyl-2-propenyl)-7,8-dimethoxy-2H-1-benzopyran-2-one is found in herbs and spices. 3-(1,1-Dimethyl-2-propenyl)-7,8-dimethoxy-2H-1-benzopyran-2-one is isolated from roots of Ruta graveolens (rue). Isolated from roots of Ruta graveolens (rue). 3-(1,1-Dimethyl-2-propenyl)-7,8-dimethoxy-2H-1-benzopyran-2-one is found in herbs and spices.
Gossyvertin
Gossyvertin is found in fats and oils. Gossyvertin is isolated from the stems of cotton plants (Gossypium sp.) infected with Verticillium dahliae. Isolated from the stems of cotton plants (Gossypium species) infected with Verticillium dahliae. Gossyvertin is found in fats and oils.
Rutacultin
Rutacultin is found in herbs and spices. Rutacultin is a constituent of Ruta graveolens (rue). Constituent of Ruta graveolens (rue). Rutacultin is found in herbs and spices.
(10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid
(10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid is found in fruits. (10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid is a constituent of the roots of Ximenia americana (tallow nut) Constituent of the roots of Ximenia americana (tallow nut). (10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid is found in fruits.
4-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol
Batatasin II
Batatasin II is found in root vegetables. Batatasin II is a constituent of Dioscorea batatas (Chinese yam). Constituent of Dioscorea batatas (Chinese yam). Batatasin II is found in root vegetables.
2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan
2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is found in herbs and spices. 2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is isolated from dry rhizomes of ginger Zingiber officinale. Isolated from dry rhizomes of ginger Zingiber officinale. 2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is found in herbs and spices.
1b-Furanoeudesm-4(15)-en-1-ol acetate
1b-Furanoeudesm-4(15)-en-1-ol acetate is found in green vegetables. 1b-Furanoeudesm-4(15)-en-1-ol acetate is a constituent of Smyrnium olusatrum (alexanders)
Panaquinquecol 4
Panaquinquecol 4 is found in tea. Panaquinquecol 4 is a constituent of Panax quinquefolium (American ginseng). Constituent of Panax quinquefolium (American ginseng). Panaquinquecol 4 is found in tea.
Glutaminylglutamine
Glutaminylglutamine is a dipeptide composed of two glutamine residues. 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.
Lysyllysine
Lysyllysine is a dipeptide composed of two lysine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Glutaminyllysine
Glutaminyllysine is a dipeptide composed of glutamine and lysine. 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.
Lysylglutamine
Lysylglutamine is a dipeptide composed of lysine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
3-Hydroxytetradecanedioic acid
3-Hydroxytetradecanedioic acid is an unusual 3-hydroxydicarboxylic acid human metabolite found occasionally in urine. (PMID 2925825) High levels of 3-Hydroxytetradecanedioic acid (and other 3-hydroxydicarboxylic acids) were detected in the urine of a patient with 3-hydroxydicarboxylic aciduria (PMID 1507493), due to acute intoxication associated with hopantenate occurs owing to pantothenic acid deficiency or the inhibition of CoA-requiring reactions during stress, i.e., infection, prolonged fasting, or malnutrition (PMID 2026687), and in a patient with thanatophoric dysplasia due to enhanced but incomplete oxidation of fatty acid, a consequence of a heterozygous point mutation, S249C in the fibroblast growth factor receptor 3 gene. (PMID 11879084) [HMDB] 3-Hydroxytetradecanedioic acid is an unusual 3-hydroxydicarboxylic acid human metabolite found occasionally in urine. (PMID 2925825) High levels of 3-Hydroxytetradecanedioic acid (and other 3-hydroxydicarboxylic acids) were detected in the urine of a patient with 3-hydroxydicarboxylic aciduria (PMID 1507493), due to acute intoxication associated with hopantenate occurs owing to pantothenic acid deficiency or the inhibition of CoA-requiring reactions during stress, i.e., infection, prolonged fasting, or malnutrition (PMID 2026687), and in a patient with thanatophoric dysplasia due to enhanced but incomplete oxidation of fatty acid, a consequence of a heterozygous point mutation, S249C in the fibroblast growth factor receptor 3 gene. (PMID 11879084).
Glutaminyl-Gamma-glutamate
Glutaminyl-Gamma-glutamate is a dipeptide composed of glutamine and gamma-glutamate. 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.
Lysyl-Gamma-glutamate
Lysyl-Gamma-glutamate is a dipeptide composed of lysine and gamma-glutamate. 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.
Platydesminium
Platydesminium is found in herbs and spices. Platydesminium is an alkaloid from Ruta graveolens (rue
Imazamethabenz
Herbicidal metabolite of imazamethabenz-methyl. Acetolactate synthase inhibitor Herbicidal metabolite of imazamethabenz-methyl. Acetolactate synthase inhibito
1-Phenyl-1,3-dodecanedione
1-Phenyl-1,3-dodecanedione is found in fats and oils. 1-Phenyl-1,3-dodecanedione is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 1-Phenyl-1,3-dodecanedione is found in fats and oils.
Rhodinyl phenylacetate
Rhodinyl phenylacetate is a flavouring ingredient. Flavouring ingredient
Citronellyl alpha-toluate
Citronellyl alpha-toluate is a flavouring ingredient and flavour enhancer for fruit flavours. Not reported in nature. Flavouring ingredient and flavour enhancer for fruit flavours. Not reported in nature
Cyanidin 3-(diferuloylsophoroside) 5-glucoside
Cyanidin 3-(diferuloylsophoroside) 5-glucoside is found in brassicas. Cyanidin 3-(diferuloylsophoroside) 5-glucoside is isolated from red cabbage (Brassica oleracea). Isolated from red cabbage (Brassica oleracea). Cyanidin 3-(diferuloylsophoroside) 5-glucoside is found in brassicas.
(R)-(+)-Ropivacaine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents
4-Alanylaminoantipyrine
5-Methoxy-N,N-diisopropyltryptamine
4-((6-Methoxyquinolin-8-yl)amino)pentanoic acid
Adelmidrol
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C29714 - Mast Cell Stabilizer Adelmidrol exerts important anti-inflammatory effects that are partly dependent on PPARγ. Adelmidrol reduces NF-κB translocation, and COX-2 expression.
Indolophenanthridine
3a-Methyl-2,3,4,5,5a,10,10a,10b-octahydro-1H-cyclopenta[a]fluorene-2,3,7-triol
Apo-13-zeaxanthinone
Apo-13-zeaxanthinone is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Apo-13-zeaxanthinone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-13-zeaxanthinone can be found in a number of food items such as red bell pepper, italian sweet red pepper, pepper (c. annuum), and orange bell pepper, which makes apo-13-zeaxanthinone a potential biomarker for the consumption of these food products.
Gigantol
Gigantol is a natural product found in Cymbidium aloifolium, Cymbidium goeringii, and other organisms with data available.
2-[(2R)-5-methoxy-2,3-dihydrofuro[3,2-i][3]benzoxepin-2-yl]propan-2-ol
3-Methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diol
3,4-Dihydroxy-3,5-dimethoxybibenzyl
Gigantol is a natural product that could be isolated from Cymbidium giganteum. Gigantol is a potent inhibitor of the spontaneous contractions of the guinea-pig ileum[1].
[4aS-(4aalpha,8beta,8abeta)]-4,4a,7,8,8a,9-Hexahydro-3,5,8a-trimethylnaphtho[2,3-b]furan-8-ol acetate
(+)-6-Ethenyl-2,4,5,6-tetrahydro-3,6-dimethyl-a-methylene-2-oxo-5-benzofuranacetic acid methyl ester
Podocarpic acid
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.131 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.128 Podocarpic acid is a natural product, which has the best all-round positive effect and acts as a novel TRPA1 activator.
8-methoxy-2-methyl-2-(4-methyl-3-pentenyl)-2h-1-benzopyran-6-ol
2-[2-(1H-indol-3-yl)acetamido]-3-methylbutanoic acid
[(1S,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl] benzoate
(+-)-1-hydroxy-16,17-didehydro-1,2-dihydro-falcarinolone|1,8-dihydroxy-heptadeca-9c,16-diene-4,6-diyn-3-one
6,17-dimethyl-18,19-dinor-17alpha-pregna-1,3,5,7,9,11,13-heptaene|6,17-Dimethyl-18,19-dinorpregna-1,3,5,7,9,11,13-heptaene
2-Polyprenyl-6-methoxy-1,4-benzoquinone
This compound belongs to the family of Prenylquinones. These are quinones whose structure is charaterized by the quinone ring substitued by an prenyl side-chain.
(13E)-octadec-13-en-9,11-diynoic acid|13-Octadecen-9,11-diinsaeure|Exocarpic acid|Octadec-13t-en-9,11-diinsaeure|octadec-13t-ene-9,11-diynoic acid|Octadeca-13t-en-9,11-diinsaeure|trans-Octadec-13-en-9,11-diinsaeure
17-Octadecen-9,11-diinsaeure|Erythrogensaeure|Isansaeure|Octadec-17-en-9,11-diinsaeure|octadec-17-ene-9,11-diynoic acid
(2E,3R,4R)-2-(dodeca-9,11-diynylidene)-3-hydroxy-4-methylbutanolide
(all-Z)-9,12,15-Octadecatrien-6-ynoic acid|9(Z),12(Z),15(Z)-Octadecatrien-6-ynoic acid|dicranin
2-(R)-acetoxy-(1<10>E,4E)-furanodiene|2-(R)-acetoxy-(1[10]E,4E)-furanodiene
8-Ac-(Z)-1,9-Pentadecadiene-4,6-diyne-3,8-diol|8-acetoxy-1,9(Z)-pentadecadien-4,6-diyn-3-ol|8-Acetoxy-1,9c-pentadecadien-4,6-diin-3-ol|8-acetoxycentellynol
(+)-(4aS,7R,8aS)-6,9,9-trimethyl-4,4a,7,8,8a,9-hexahydronaphtho<2,3-b>furan-7-yl acetate|(+)-(4aS,7R,8aS)-6,9,9-trimethyl-4,4a,7,8,8a,9-hexahydronaphtho[2,3-b]furan-7-yl acetate
1-[3,6-Dimethyl-5-(3-methylbutanoyl)-2-pyrazinyl]-3-methyl-2-buten-1-one #
(+)-(4aS,6R,8aS)-4,4,7-trimethyl-4,4a,5,6,8,8a,9-hexahydronaphtho<2,3-b>furan-6-yl acetate|(+)-(4aS,6R,8aS)-4,4,7-trimethyl-4,4a,5,6,8,8a,9-hexahydronaphtho[2,3-b]furan-6-yl acetate
Liagoric acid|octadec-5-yne-7Z,9Z,12Z-trienoic acid
3,17-dimethyl-18,19-dinor-17alpha-pregna-1,3,5,7,9,11,13-heptaene|3,17-Dimethyl-18,19-dinorpregna-1,3,5,7,9,11,13-heptaene
(5beta,10alpha)-12-hydroxy-3,4-seco-podocarpa-4(18),8,11,13-tetraen-3-oic acid|moluccanic acid
Piperazineethanol, 4-(alpha,alpha,alpha-trifluoro-m-tolyl)-
1-Ac-(Z,Z)-2,9-Pentadecadiene-4,6-diyne-1,8-diol|1-Acetoxypentadecadien-(2c,9c)-diin-(4,6)-ol-(8)
(2E)-2-(3,7-dimethylocta-2,6-dienyl)-4-hydroxy-1-methoxy-6-methylbenzene
(15E,8Z)-3-Hydroxy-8,15-heptadecadiene-11,13-diynoic acid
(2E)-1-hydroxy-2-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-6-methylbenzene|1-hydroxy-2-(3,7-dimethyl-octa-2,6-dienyl)-4-methoxy-6-methyl-benzene|2-[(2E)-3,7-dimethyl-2,6-octadienyl]-4-methoxy-6-methylphenol
12-methoxy-13-hydroxypodocarpa-8,11,13-triene|12-methoxypodocarpa-8,11,13-trien-13-ol|13-hydroxy-12-methoxy-13-deisopropyldehydroabietane|13-hydroxy-12-methoxy-8,11,13-podocarpatriene
(6S)-5,6,dihydro-6-[(2R)-2-hydroxy-6-phenylhexyl]-2H-pyran-2-one|(6S)-5,6-dihydro-6-[(2R)-2-hydroxy-6-phenylhexyl]-2H-pyran-2-one|(6S)-6-[(2R)-2-hydroxy-6-phenylhexyl]-5,6-dihydro-2H-pyran-2-one
(5beta,10alpha)-12,13-dihydroxypodocarpa-8,11,13-trien-3-one
(3S)-3-acetoxyeremophil-1(2),7(11),9(10)-trien-8-one
(3E,3?E)-4,4?-(3,6-dimethyl-1,2-phenylene)bis(2-methylbut-3-en-2-ol)|caulerprenylol A
N-[2,6-dioxo-1-(2-phenylethyl)-3-piperidinyl]acetamide
4-(1-Hydroxyethyl)-2,6-bis(3-methyl-2-butenyl)phenol
(3R,6R)-3-hydroxy-13-apo-alpha-caroten-13-one|(3R,6R)-3-hydroxy-13-apo-epsilon-caroten-13-one|(3R,6R,7E,9E,11E)-3-hydroxy-13-apo-alpha-caroten-13-one
12-hydroxy-13-methoxy-13-deisopropyldehydroabietane|12-hydroxy-13-methoxy-8,11,13-podocarpatriene
13-methoxypodocarpa-8,11,13-trien-14-ol|14-hydroxy-13-methoxy-8,11,13-podocarpatriene
9,10-Epoxide-(Z)-1,9,16-Heptadecatriene-4,6-diyne-3,8-diol
(5SR,8SR,9SR,10RS,13SR)-13-hydroxy-15,16-dinorlabr-1,4(18)dien-3-one|tagalsin Q
2,17-dimethyl-18,19-dinor-17alpha-pregna-1,3,5,7,9,11,13-heptaene|2,17-Dimethyl-18-19-dinorpregna-1,3,5,7,8,11,13-heptaene
2,4,4-trimethyl-3-((1E,3E)-3-methyl-7-oxo-octa-1,3-dienyl)cyclohex-2-enone|trisporin B
8,9-dihydro-10-methoxy-2,2,7,7-tetramethyl-2H,7H-benzo[1,2-b:5,4-b]dipyran|metacalypogin
C17H22O3
Nervogenic acid is a natural product found in Piper aduncum, Piper hispidum, and Piper glabratum with data available.
Indole-3-acetyl-L-valine
Annotation level-1 IPB_RECORD: 285; CONFIDENCE confident structure
IAA-Val , Indole-3-acetyl-L-valine
IPB_RECORD: 2321; CONFIDENCE confident structure
IAA-val
Acquisition and generation of the data is financially supported by the Max-Planck-Society
Nandrolone
A - Alimentary tract and metabolism > A14 - Anabolic agents for systemic use > A14A - Anabolic steroids > A14AB - Estren derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D000728 - Androgens A 3-oxo Delta(4)-steroid that is estr-4-en-3-one substituted by a beta-hydroxy group at position 17. C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid S - Sensory organs > S01 - Ophthalmologicals
PRI_275.1391_17.2
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1601
C13H22O6_2-Furanacetic acid, tetrahydro-alpha-methyl-5-(2-oxopropyl)-, 2,3-dihydroxypropyl ester
C17H22O3_1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, 2-benzoate, (1S,2S,4R)
chlorpheniramine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
dexchlorpheniramine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Ropivacaine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BB - Amides D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
(4aS)-6,7-dihydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
ascr#7
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,6R)-6-hydroxyhept-2-enoic acid with ascarylopyranose (the alpha anomer). A metabolite of the nematode Caenorhabditis elegans, it is weakly dauer inducing and a weak male-attractant. CONFIDENCE standard compound; INTERNAL_ID 98
[(1S,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl] benzoate_major
2,4,6-Heptatrienoic acid, 5-methyl-7-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-, (2E,4E,6E)-
GLN-GLN
A dipeptide formed from two L-glutamine residues.
Lys-GLN
A dipeptide composed of L-lysine and L-glutamine joined by a peptide linkage.
Lys-lys
A dipeptide formed from two L-lysine residues.
1b-Furanoeudesm-4(15)-en-1-ol acetate
busulfan
D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents
(10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid
Cyanidin 3-(diferuloylsophoroside) 5-glucoside
oscr#7
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-7-hydroxyhept-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
tert-butyl 4-(1-hydroxy-2-nitroethyl)piperidine-1-carboxylate
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-N-tert-butyl-acetamide
HEXAMETHYLENEAMMONIUM HEXAMETHYLENEDITHIOCARBAMATE
4-(E-2-Carboxyvinyl)phenylboronic acid pinacol ester
C15H19BO4 (274.13763240000003)
2-(pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
5,5,5-Trifluoro-N2-[(1R)-1-phenylethyl]-D-norvalinamide
tert-Butyl (3-(4-cyanophenyl)oxetan-3-yl)carbamate
3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine
7-(PROP-2-YN-1-YL)-1,3-DIPROPYL-1H-PURINE-2,6(3H,7H)-DIONE
3-(pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
4-PHENYL-5-(PIPERIDIN-1-YLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
ETHYL 1-BENZYL-HEXAHYDROPYRROLO[3,4-B]PYRROLE-5(1H)-CARBOXYLATE
Tybamate
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
N-METHYL-2-MORPHOLINO-5-(TRIFLUOROMETHYL)BENZYLAMINE
2-Pyrrolidin-1-ylpyridine-3-boronic acid pinacol ester
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-N,N-diethyl-acetamide
2,2-Dimethyl-N-(5-trimethylsilanylethynyl-pyridin-2-yl)-propionamide
octahydro-quinoxaline-1-carboxylic acid benzyl ester
ethyl 5-cyano-6-methyl-2-piperazin-1-ylpyridine-3-carboxylate
1-(1-BENZYL-PIPERIDIN-4-YL)-AZETIDINE-3-CARBOXYLIC ACID
tert-Butyl N-[2-(Boc-amino)ethyl]-N-methylcarbamate
diethyl 2-propan-2-yl-1,3-dioxane-5,5-dicarboxylate
2,2-Dimethyl-N-(3-trimethylsilanylethynyl-pyridin-2-yl)-propionamide
benzyl 2-amino-7-azaspiro[3.5]nonane-7-carboxylate
(S)-2-Azido-4-(Methylthio)butanoic acid cyclohexylamMonium salt
1,2,3,4-Tetrahydro-N-[2-(diethylamino)ethyl]-1-naphthalenecarboxamide
1,1,3-Propanetricarboxylicacid, 2-methyl-, 1,1,3-triethyl ester
N-(4-oxospiro[chroman-2,4-piperidine]-6-yl)acetamide
(1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropyl)methanol
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
methyl-2,3:4,6-di-o-isopropylidene-d-mannopyranoside
ETHANONE, 1-[1-[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]
1,4,7,10,13-Benzopentaoxacyclopentadecin,tetradecahydro-
2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane,prop-2-enoic acid
2,6-DIMETHOXY-4-{[(PYRIDIN-3-YLMETHYL)AMINO]METHYL}PHENOL
ETHYL1-BENZYLHEXAHYDROPYRROLO[3,4-B]PYRROLE-5(1H)-CARBOXYLATE
2,6-Diazaspiro[4.5]decane-2-carboxylic acid, phenylmethyl ester
tert-butyl 5-propanoylpyrrolo[3,2-b]pyridine-1-carboxylate
[3-(2-AMINO-ETHYL)-1H-INDOL-2-YL]-ACETIC ACID TERT-BUTYL ESTER
2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethanol
(4S,5S)-2,2-diMethyl-1,3-Dioxolane-4,5-dicarboxylic acid 4,5-bis(1-Methylethyl) ester
1,8-Diazaspiro[5.5]undecane-1-ethanol, b-phenyl-, [R-(R*,R*)]- (9CI)
2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
1,2-o-cyclohexylidene-3-o-methyl-alpha-d-glucofuranose
CY 208-243
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
5-Pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-6-methyl-4-(3-methylphenyl)-2-oxo-,ethylester(9CI)
tert-butyl (2-(5-methyl-1H-indol-3-yl)ethyl)carbamate
(alphaR,betaS)-beta-Amino-6-(1,1-dimethylethyl)-alpha-methyl-1H-benzimidazole-2-propanamide
Ethyl 1-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
2-Heptenoic acid, 6-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-, (2E,6R)-
Isamoltan
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
(2E)-7-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]hept-2-enoic acid
5-Methyl-8-nitro-1,2,4,5-tetrahydrospiro[2-benzazepine-3,1-cyclohexane]
4,6-Dimethyl-2-[3-(4-morpholinyl)propylamino]-3-pyridinecarbonitrile
4-(2-methylcyclohexyl)-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione
4-(Dimethylamino)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester
4-[(1,2-Dimethyl-5-indolyl)methylamino]-4-oxobutanoic acid
(2-Carbamoylmethyl-5-propyl-octahydro-indol-7-YL)acetic acid
(3R)-3-methyl-D-glutamyl-semialdehyde-Nepsilon-L-lysine
(2S,3S,7R)-2-amino-3-amino-7-hydroxy-8-(2-iminoimidazolidin-4-yl)octanoate
[3-Carboxylato-2-(heptanoyloxy)propyl]trimethylaminium
[(2S)-3-carboxy-2-[(E)-4-carboxybut-2-enoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-(4-methylhexanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(5-methylhexanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3-methylhexanoyloxy)propyl]-trimethylazanium
[3-carboxy-2-[(E)-4-carboxybut-3-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-3-hydroxyhex-4-enoyl]oxypropyl]-trimethylazanium
C13H24NO5+ (274.16543939999997)
[3-Carboxy-2-(3-oxohexanoyloxy)propyl]-trimethylazanium
C13H24NO5+ (274.16543939999997)
[3-Carboxy-2-(5-oxohexanoyloxy)propyl]-trimethylazanium
C13H24NO5+ (274.16543939999997)
4-(phenylmethyl)-N-prop-2-enyl-1-piperidinecarbothioamide
2,3-Dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate
(2E,4E,6E,8E,10E)-octadecapentaenoic acid
A polyunsaturated fatty acid that is octadecapentaenoic acid in which the five double bonds are located at positions 2, 4, 6, 8 and 10 (the all-trans-geoisomer).
N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-(4-hydroxyphenyl)ethan-1-aminium
2-[(4-Methoxyphenyl)hydrazinylidene]-5,5-dimethylcyclohexane-1,3-dione
3-[3,8-Bis(ethenyl)deca-1,4,6,9-tetraen-3-yl]bicyclo[3.1.1]hepta-1(6),2,4-triene
6-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid
6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid
[(2R)-3-carboxy-2-[(E)-4-carboxybut-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-4-carboxybut-2-enoyl]oxypropyl]-trimethylazanium
(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoic acid
(2S)-N-Carbobenzoxy-2-(pyrrolidine-2-YL)pyrrolidine
4-(Trimethylsilylmethyl)-6-(2-phenylethyl)-5,6-dihydro-2H-pyran
(7E,9E,11E,13E,15E)-octadeca-7,9,11,13,15-pentaenoic acid
3-Geranyl-4-hydroxybenzoic acid
D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
N(2)-succinyl-L-arginine
An N-acyl-L-arginine resulting from the formal condensation of the alpha-amino group of L-arginine with one of the carboxy groups of succinic acid
6-Methoxy-2-(3,7-dimethyl-2,6-octadienyl)-2,5-cyclohexadiene-1,4-dione
(9Z,12Z,15Z)-octadeca-9,12,15-trien-6-ynoic acid
A trienoic fatty acid, that is octadecanoic acid containing double bonds at positions 9, 12 and 15 and a triple bond at position 6. Isolated from Dicranum scoparium, it exhibits antibacterial activity and inhibitory activity against arachidonate 15-lipoxygenase.
2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan
6-(3-heptyloxiran-2-yl)-1-(oxiran-2-yl)hexa-2,4-diyn-1-one
N2-Succinoylarginine
D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents
exo-(-)-cinmethylin
A 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane that is the exo-(-)-isomer of cinmethylin.
1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane
An oxabicycloalkane that is 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-ol in which the hydroxy group is substituted by a (2-methylphenyl)methoxy group.
exo-(+)-cinmethylin
A 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane that is the exo-(+)-isomer of cinmethylin.
4-O-methylnorbelladine(1+)
An organic cation obtained by protonation of the secondary amino group of 4-O-methylnorbelladine; major species at pH 7.3.
N-(indole-3-acetyl)valine
An indoleacetic acid amide conjugate obtained by formal condensation of the carboxy group of indole-3-acetic acid with the amino group of valine.
PhiKan 083 hydrochloride
PhiKan 083 hydrochloride is a carbazole derivative, which binds to the surface cavity and stabilizes Y220C (a p53 mutant), with a Kd of 167 μM[1], and a relative binding affinity (Kd) of 150 μM in Ln229 cells[3].