Exact Mass: 280.14270939999994
Exact Mass Matches: 280.14270939999994
Found 500 metabolites which its exact mass value is equals to given mass value 280.14270939999994,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Autumnolide
Hymenoflorin
13-Hydroxyabscisic acid
13-Hydroxyabscisic acid is found in cowpea. 13-Hydroxyabscisic acid is a constituent of cowpea (Vigna unguiculata) fruits Constituent of cowpea (Vigna unguiculata) fruits. 13-Hydroxyabscisic acid is found in pulses and cowpea.
Fantridone
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Feruloylcholine
Feruloylcholine is a constituent of garlic mustard (Alliaria officinalis). Constituent of garlic mustard (Alliaria officinalis).
Nigellic acid
Nigellic acid is found in broad bean. Nigellic acid is isolated from leaves of Vicia fab Isolated from leaves of Vicia faba. Nigellic acid is found in pulses and broad bean.
8-Deoxy-11,13-dihydroxygrosheimin
8-Deoxy-11,13-dihydroxygrosheimin is found in green vegetables. 8-Deoxy-11,13-dihydroxygrosheimin is a constituent of Cynara scolymus (globe artichoke). Constituent of Cynara scolymus (globe artichoke). 8-Deoxy-11,13-dihydroxygrosheimin is found in green vegetables.
(1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide
(1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide is found in green vegetables. (1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide is a constituent of Smyrnium olusatrum (alexanders). Constituent of Smyrnium olusatrum (alexanders). (1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide is found in green vegetables.
Tyrosyl-Valine
C14H20N2O4 (280.14230000000003)
Tyrosyl-Valine is a dipeptide composed of tyrosine and valine. 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.
Crispolide
Crispolide is found in herbs and spices. Crispolide is a constituent of Tanacetum vulgare var. crispum. Constituent of Tanacetum vulgare variety crispum. Crispolide is found in herbs and spices.
Feruloyl-2-hydroxyputrescine
C14H20N2O4 (280.14230000000003)
Feruloyl-2-hydroxyputrescine is found in cereals and cereal products. Feruloyl-2-hydroxyputrescine is an alkaloid from Triticum aestivum (wheat). Alkaloid from Triticum aestivum (wheat). Feruloyl-2-hydroxyputrescine is found in wheat and cereals and cereal products.
7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one
7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one is found in herbs and spices. 7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one is a constituent of rhizomes of Alpinia officinarum (lesser galangal). Constituent of rhizomes of Alpinia officinarum (lesser galangal). 7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one is found in herbs and spices.
Artabsinolide A
Constituent of Artemisia absinthium (wormwood). Artabsinolide A is found in alcoholic beverages and herbs and spices. Artabsinolide B is found in alcoholic beverages. Artabsinolide B is a constituent of Artemisia absinthium (wormwood)
Vulgarolide
Vulgarolide is found in herbs and spices. Vulgarolide is a constituent of Tanacetum vulgare (tansy).
Dihydromarasmone
Dihydromarasmone is found in mushrooms. Dihydromarasmone is a constituent of Marasmius oreades (fairy ring mushroom) Constituent of Marasmius oreades (fairy ring mushroom). Dihydromarasmone is found in mushrooms.
Valyltyrosine
C14H20N2O4 (280.14230000000003)
Valyltyrosine is a dipeptide composed of valine and tyrosine. 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. H-Val-Tyr-OH is an endogenous metabolite.
Hydroxystilbamidine
Hydroxystilbamidine belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Hydroxystilbamidine is considered to be a practically insoluble (in water) and relatively neutral molecule. C254 - Anti-Infective Agent > C514 - Antifungal Agent
Lisofylline
C13H20N4O3 (280.15353300000004)
4-(1,3-Dihydroxy-4,4,5,5-tetramethyl-imidazolidin-2-yl)benzoic acid
C14H20N2O4 (280.14230000000003)
4-O-Methylhonokiol
4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research.
8-Hydroxymianserin
Albifylline
C13H20N4O3 (280.15353300000004)
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents
Deepoxy-deoxynivalenol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Psilostachyin
Psilostachyin is a member of the class of compounds known as ambrosanolides and secoambrosanolides. Ambrosanolides and secoambrosanolides are sesquiterpene lactones from the Ambrosia family, with a backbone derivative of azuleno[6,5-b]furan-2-one (ambrosanolides) or azuleno[4,5-b]furan-2-one (secoambrosanolides). Psilostachyin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Psilostachyin can be found in mugwort, which makes psilostachyin a potential biomarker for the consumption of this food product. Psilostachyins are bio-active isolates of Ambrosia psilostachya .
Phaseic acid
Phaseic acid, also known as phaseate, belongs to abscisic acids and derivatives class of compounds. Those are terpene compounds containing the abscisic acid moiety, which is characterized by a 3-methylpenta-2,4-dienoic acid attached to the C1 carbon of a 4-oxocyclohex-2-ene moiety. Phaseic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Phaseic acid can be found in a number of food items such as boysenberry, prunus (cherry, plum), european plum, and wild rice, which makes phaseic acid a potential biomarker for the consumption of these food products. Phaseic acid is a terpenoid catabolite of abscisic acid. Like abscisic acid, it is a plant hormone associated with photosynthesis arrest and abscission .
1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide
1,10-epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide 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. 1,10-epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide is soluble (in water) and a very weakly acidic compound (based on its pKa). 1,10-epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide can be found in roman camomile, which makes 1,10-epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide a potential biomarker for the consumption of this food product.
1,7-diphenyl-5-hydroxy-6-hepten-3-one
(5R,6E)-5-Hydroxy-1,7-diphenyl-6-hepten-3-one is the methylene chloride extract of Alpinia nutans, has antioxidant activity[1]. (5R,6E)-5-Hydroxy-1,7-diphenyl-6-hepten-3-one is the methylene chloride extract of Alpinia nutans, has antioxidant activity[1].
Altamisic acid
[3aS-(3aalpha,5alpha,6alpha,6aalpha,8alpha,9bbeta)]-3a,4,5,6,6a,7,8,9b-Octahydro-5,6,8-trihydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one
4alpha-Hydroperoxydesoxyvulgarin
[3aR-(3aalpha,4aalpha,5alpha,8beta,9abeta)]-3a,4,4a,5,6,8,9,9a-Octahydro-8-hydroperoxy-5-hydroxy-5,8-dimethyl-3-methylene-azuleno[6,5-b]furan-2(3H)-one
[3aS-(3aalpha,5alpha,6alpha,6aalpha,9alpha,9aalpha,9bbeta)]-3a,4,5,6,6a,9,9a,9b-Octahydro-5,6,9-trihydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one
Tabarin
4alpha,5alpha-Epoxy-8alpha,13-dihydroxy-1(10)E,7(11)-germacratrien-12,6alpha-olide
Dimerostemmolide
Artemisitene
Artemisitene, a natural derivative of Artemisinin, is a Nrf2 activator with antioxidant and anticancer activities. Artemisitene activates Nrf2 by decreasing Nrf2 ubiquitination and increasing its stability[1][2]. Artemisitene, a natural derivative of Artemisinin, is a Nrf2 activator with antioxidant and anticancer activities. Artemisitene activates Nrf2 by decreasing Nrf2 ubiquitination and increasing its stability[1][2].
4-methoxyhonokiol
4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research.
5-Hydroperoxy-6,13-dehydro-5,6-dihydroanthecotuloide
epi-6-Hydroxy-5,6-dihydro-4,5-dehydro-antheindurolide A
2-(3-Methyl-1-butenyl)-5-(2-phenylethenyl)-1,3-benzenediol
7-carboxyl-6,8-dihydroxy-1,1,3,4,5-pentamethylisochroman
2-hydroxy-4-(hydroxymethyl)-6-(1-hydroxy-3-methylbut-2-enyl)-3-[(E)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one
(E)-2-(hydroxymethyl)-3-(3-oxo-5-propan-2-yl-4,5,6,7-tetrahydro-1H-2-benzofuran-4-yl)prop-2-enoic acid
(1S,2S)-3,11-dihydroxy-1,2,5-trimethyl-8-oxaspiro[oxirane-2,12-tricyclo[7.2.1.0²,⁷]dodecan]-5-en-4-one
2-oxo-8alpha,10beta-dihydroxyguai-3-en-1alpha,5alpha,6beta,11betaH-12,6-olide
6beta-hydroxy-7alpha,8alpha-epoxy-1-oxo-10beta,11betaH-eremophilan-12,8-olide
9,10-Dihydro-4-ethenyl-1,8-dimethyl-2-methoxyphenanthrene-7-ol
3,3-Dimethyl-8-(benzyloxy)-2,4,6-trioxabicyclo[3.3.0]octane-7-methanol
1alpha-hydroxy-1-desoxotamirin-4alpha,5beta-epoxide
3,8-Dimethyl-4-vinyl-7-methoxy-9,10-dihydrophenanthrene-1-ol
1alpha-hydroxy-desacetylirinol-4alpha,5beta-epoxide
1alpha-Hydroperoxy-4alpha,5beta-epoxygermacra-10(14),11(13)-dien-12,8alpha-olide
5-Hydroxy-7-(2-phenylethyl)-2,2-dimethyl-2H-1-benzopyran
8alpha,9alpha-dihydroxy-4beta,15,11beta,13-tetrahydro-dehydrozaluzanin
2-(1-Methylethenyl)-4-phenethyl-2,3-dihydrobenzofuran-6-ol
(3?鈥?4?鈥?5alpha,6alpha,8alpha)-3,4,8-Trihydroxy-1(10),11(13)-guaiadien-12,6-olide
(E)-1-(2,3,4,6-tetramethoxyphenyl)pent-2-en-1-one|Tetra-Me ether-(E)-1-(2,3,4,5-Tetrahydroxyphenyl)-2-penten-1-one
15-epoxy-8alpha-hydroxy-11alpha,13-dihydrozaluzanin C|halenin A
2,2-Dimethyl-7-hydroxy-5-(2-phenylethyl)-2H-1-benzopyran
4-(2-hydroxy-3-isopropylaminopropoxy)phenylglyoxylic acid amide
C14H20N2O4 (280.14230000000003)
11beta,13-dihydrourospermal A|11betaH,13-dihydrourospermal A|dihydrourospermal A
10beta-hydroperoxy-3-oxo-eremophila-1,11(13)-dien-12-oic acid
Crispolide
An organic heterotricyclic compound that is a hydroperoxysesquiterpene lactone with a modified germacrane skeleton, isolated from the aerial parts of Tanacetum vulgare.
4-O-Methylhonokiol
4-O-Methylhonokiol is a natural product found in Magnolia virginiana, Magnolia obovata, and Magnolia officinalis with data available. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research.
(1S,2R,5S,6S,7S,10R)-1,2,15-trihydroxyeudesma-3,11(13)-dien-6,12-olide
7-carboxyl-6,8-dihydroxy-1,1,3alpha,4beta,5-pentamethylisochroman
1-acetyl-3-hydroxy-2,6-dimethyl-4-isopentenylphloroglucinol
(3aS,6R,6aR,9aS,9bR)-3,3a,4,5,6,6a,7,8,9a,9b-decahydro-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methyleneazuleno[4.5-b]furan-2,9-dione|deacetyltetraneurin A|Desacetyltetraneurin-A
3,8,8-Trimethyl-4,5,10,11-tetrahydrophenanthro[10,1-bc]pyran-9(8H)-one
(1alpha,2beta,5beta,6alpha,10alpha)-2,5,10-Trihydroxy-3,11(13)-guaiadien-12,6-olide
4beta,10alpha-dihydroxy-5alphaH-guai-1(2),11(13)-dien-12,8alpha-olide
2-oxo-5alpha,10alpha-dihydroxyguaia-3-en-1-alpha,6beta,7alpha,11betaH-12,6-olide|artemanomalide A
5-hydroxy-2-[(1S,5R)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-5-methylcyclohex-2-ene-1,4-dione|flamvelutpenoid D
(4S,5R,6S,8R,10S)-6,8-dihydroxy-4,15-epoxy-eudesm-7(11)-en-12,8-olide|multistalactone A
(3aR,4S,5R,5aR,9aR,9bS)-1,2,4,5,5a,6,9a,9b-Octahydro-3a,4,9b-trihydroxy-5,8-dimethyl-1-methylidenenaphto(2,1-b)furan-7(3aH)-one|Lyophyllone A
(4Z,5R)-4-ethylidene-3,4,6,7-tetrahydro-6-methylidene-2,5-ethanoazocino[4,3-b]indol-5(1H)-ol|15alpha-hydroxyapparicine
3,5-Dihydroxy-2-(gamma,gamma-dimethylallyl)-stilben|trans-3,5-dimethoxy-2-prenylstilbene
1,1?-(E)-propenyl-4-methoxy-3,4?-oxyneolignan|ottomentosa
5alpha,6alpha-epoxy-2alpha,4alpha-dihydroxy-1beta-guai-11(13)-en-12,8alpha-olide
10alpha-hydroxy-1alpha,4alpha-peroxide-2-guaien-12,6alpha-olide|11beta,13-dihydrotanaparthin-alpha-peroxide
(2S,3S)-5-allyl-2,3-dihydro-2-(4-methoxyphenyl)-3-methylbenzofuran|4?-O-methylmiliumollin
3-(4-Hydroxypentyl)-7-hydroxy-8-methoxy-3,4-dihydro-1H-2-benzopyran-1-one
(1R,4S,5S,6R,7S,8S,10R)-1,6-dihydroxy-4(15)-epoxyeudesma-11(13)-en-8,12-olide|1,6-dihydroxy-4,(15)-epoxyeudesma-11(13)-en-8,12-olide
1alpha,8alpha,9alpha-trihydroxyeudesman-3(4),7(11)-dien-8beta;,12-olide
1-[2,6-dihydroxy-4-[(4-hydroxy-3-methyl-2-butenyl)oxy]phenyl]-2-methyl-1-propanone
10alpha-hydroxy-10,14-dihydrodesacylcynaropicrin|3beta,8alpha,10alpha-trihydroxy-guaia-4(15),11(13)-dien-1alpha,5alpha,6beta,7alphaH-12,6-olide
1beta,14-peroxy-4alpha-hydroxy-5alphaH,7alphaH,6betaH-eudesm-11(13)-en-6,12-olide
(4aRS,5SR,6SR,8aSR,9aSR)-4a,5,6,8a,9,9a-hexahydro-4a,5,6-trihydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-2(4H)-one|3beta,4beta,5beta-trihydroxyeudesma-1,7(11)-dien-12,8alpha-olide|serralactone D
(1E, 4?鈥? 5??, 6??, 10??, 11??H)-form-4, 5-Epoxy-10-hydroxy-3-oxo-1-germacren-12, 6-olide
(+)-conocarpan methyl ether|(2S,3S)-2,3-dihydro-2-(4-methoxyphenyl)-3-methyl-5-[1(E)-propenyl]benzofuran
4alpha-hydroxy-1beta-hydroperoxyguaia-10(14),11(13)-dien-12,8beta-olide
Ac-(all-E)-1,7,9-Heptadecatriene-11,13,15-triyn-6-ol
4-[2-[2-Methoxy-5-(2-propenyl)phenyl]-2-propenyl]phenol
(1beta,4Z,6alpha,8alpha,10alpha)-form-1,10-Epoxy-8,15-dihydroxy-4,11(13)-germacradien-12,6-olide|(1R*,6S*,7R*,8S*,10S*)-8,15-dihydroxy-1(10)-epoxygermacr-4-ene-6,12-olide
(1beta,3bata,4Z,6alpha,10alpha)-1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide
4alpha-hydroperoxy-10alpha-hydroxy-1alpha,5alphaH-guaia-2,11(13)-dien-12,6alpha-olide
(E)-11beta,15-dihydroxy-2-oxo-6betaH-13-norguaia-3-ene-11,6-carbolactone
(7alpha,8alpha,2alpha)-3,4,5-trimethoxy-7,3,1,9-diepoxylignan|cuminiresinol
2-Isobutyryl-4-(2-hydroxy-3-methyl-3-butenyl)benzene-1,3,5-triol
(1R*,5R*,6R*,7S*,8R*,9S*,10S*)-8,9,10-trihydroxygermacra-3,11(13)-germacradien-6,12-olide
1alpha,8alpha,11beta-trihydroxyguai-3,10(14)-dien-12,6alpha-olide
5beta,9beta-dihydroxy-1-oxo-germacra-1(10),4(15)-dien-12,6-olide
1beta-Hydroperoxy-8alpha-hydroxy-4,10(14)-germacradien-12,6alpha-olide
Lisofylline
C13H20N4O3 (280.15353300000004)
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D011838 - Radiation-Sensitizing Agents D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Artemisitene
Artemisitene, a natural derivative of Artemisinin, is a Nrf2 activator with antioxidant and anticancer activities. Artemisitene activates Nrf2 by decreasing Nrf2 ubiquitination and increasing its stability[1][2]. Artemisitene, a natural derivative of Artemisinin, is a Nrf2 activator with antioxidant and anticancer activities. Artemisitene activates Nrf2 by decreasing Nrf2 ubiquitination and increasing its stability[1][2].
Dehydromiltirone
Dehydromiltirone is a natural product found in Salvia miltiorrhiza, Salvia miltiorrhiza var. miltiorrhiza, and Salvia prionitis with data available.
7-benzyloxygramine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.741
L-Histidine beta-naphthylamide
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.257 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.256 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.251 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.250
1-Phenyl-2-(3,4,5,6-tetrahydro-2H-[2,3]bipyridinyl-1-yl)-ethanone
2-hydroxy-4-(hydroxymethyl)-6-(1-hydroxy-3-methylbut-2-enyl)-3-[(E)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one
(3aS,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5-oxolane]-2,2-dione
4-[5-(1,2-dihydroxypropan-2-yl)-2-methyloxolan-2-yl]benzoic acid
C15H20O5_(11xi)-4,7-Dihydroxy-12,13-epoxytrichothec-9-en-8-one
C15H20O5_4,5-Dihydroxy-1a-(3-hydroxy-1-propen-2-yl)-7,7a-dimethyl-4,5,6,7,7a,7b-hexahydronaphtho[1,2-b]oxiren-2(1aH)-one
C15H20O5_Spiro[7H-cyclohepta[b]furan-7,2(5H)-furan]-2,5(3H)-dione, octahydro-8-hydroxy-6,8-dimethyl-3-methylene-, (3aS,6S,7R,8aR)
C15H20O5_4,6-Dihydroxy-5a-methyl-3-methylene-2-oxododecahydronaphtho[1,2-b]furan-9-carbaldehyde
C15H20O5_Bisoxireno[4,5:8,9]cyclodeca[1,2-b]furan-4(1aH)-one, 2,2a,6,6a,7a,8,9,9a-octahydro-2a-hydroxy-1a,5,7a-trimethyl-, (1aS,2aR,6aR,7aS)
3-[(3aS,8R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidene-2-oxo-3a,4,5,8a-tetrahydrocyclohepta[b]furan-7-yl]propanoic acid
(3aS,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5-oxolane]-2,2-dione [IIN-based on: CCMSLIB00000846769]
(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one [IIN-based on: CCMSLIB00000845889]
(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one [IIN-based: Match]
(3aS,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5-oxolane]-2,2-dione [IIN-based: Match]
3-[(3aS,8R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidene-2-oxo-3a,4,5,8a-tetrahydrocyclohepta[b]furan-7-yl]propanoic acid_major
(1S,2S)-3,11-dihydroxy-1,2,5-trimethyl-8-oxaspiro[oxirane-2,12-tricyclo[7.2.1.0²,⁷]dodecan]-5-en-4-one_major
(1S,2S)-3,11-dihydroxy-1,2,5-trimethyl-8-oxaspiro[oxirane-2,12-tricyclo[7.2.1.0²,?]dodecan]-5-en-4-one
3-[(4-Carboxy-4-methylpentyl)oxy]-4-methylbenzoic acid (Gemfibrozil M3)
(R)-Lisofylline
C13H20N4O3 (280.15353300000004)
A 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione that has (R)-configuration. A synthetic small molecule which was under development for the treatment of type 1 diabetes mellitus.
(S)-Lisofylline
C13H20N4O3 (280.15353300000004)
A 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione that has (S)-configuration. It is the inactive optical enantiomer of (R)-lisofylline, an anti-inflammatory agent.
Tyr-val
C14H20N2O4 (280.14230000000003)
A dipeptide formed from L-tyrosine and L-valine residues.
Val-Tyr
C14H20N2O4 (280.14230000000003)
A dipeptide formed from L-valine and L-tyrosine residues. H-Val-Tyr-OH is an endogenous metabolite.
Feruloyl-2-hydroxyputrescine
C14H20N2O4 (280.14230000000003)
Artabsinolide A
Dihydromarasmone
Nigellic acid
13-Hydroxyabscisic acid
(1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide
Vulgarolide
8-Deoxy-11,13-dihydroxygrosheimin
4,6-Dihydroxy-5a-methyl-3-methylene-2-oxododecahydronaphtho[1,2-b]furan-9-carbaldehyde
(2S,5S,5aS)-4,6-dihydroxy-5,5a,8-trimethyl-2,3,4,5,5a,9a-hexahydrospiro[oxirane-2,10-[2,5]methanobenzo[b]oxepin]-7(6H)-one
7-hydroxyabscisic acid
ethyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetate
N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
2-(1H-indol-3-yl)ethyl-[(3-methoxyphenyl)methyl]azanium
2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]acetic acid
1-BOC-3-[(2-FLUOROPHENYL-AMINO)-METHYL]-AZETIDINE
C15H21FN2O2 (280.15869779999997)
1-BOC-3-[(4-FLUOROPHENYL-AMINO)-METHYL]-AZETIDINE
C15H21FN2O2 (280.15869779999997)
1-(1,3-DIOXOLAN-2-YLMETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
3-(3-FLUORO-PHENYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C15H21FN2O2 (280.15869779999997)
4-Hydroxybenzenepropanoic acid [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester
Tyrosyl-Valine
C14H20N2O4 (280.14230000000003)
2-Fluoro-5-(Methoxycarbonyl)benzeneboronic acid pinacol ester
N-[(5-Amino-1,3,3-Trimethylcyclohexyl)Methyl]-beta-Alanine Monopotassium Salt
3-(3-FLUORO-BENZYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C15H21FN2O2 (280.15869779999997)
1-BOC-3-[(3-FLUOROPHENYL-AMINO)-METHYL]-AZETIDINE
C15H21FN2O2 (280.15869779999997)
2-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETIC ACID
METHYL 3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)PROPANOATE
(2-ACETYL-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)ACETICACID
C14H20N2O4 (280.14230000000003)
[2-hydroxyimino-2-(3-methoxy-phenyl)-ethyl]-carbamic acid tert-butyl ester
C14H20N2O4 (280.14230000000003)
BIS-N,N-(TRIMETHYLSILYL)-N-PHENYLUREA
C13H24N2OSi2 (280.14270939999994)
Boc-(R)-3-Amino-4-(3-pyridyl)-butyric acid
C14H20N2O4 (280.14230000000003)
METHYL 3-FLUORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
2-(3-Methoxy-5-(methylthio)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C14H21BO3S (280.13043860000005)
Benzoic acid, 5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, Methyl ester
3-(2-FLUORO-PHENYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C15H21FN2O2 (280.15869779999997)
3-(4-FLUORO-PHENYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C15H21FN2O2 (280.15869779999997)
[4-(2-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate
[2-hydroxyimino-2-(4-methoxy-phenyl)-ethyl]-carbamic acid tert-butyl ester
C14H20N2O4 (280.14230000000003)
METHYL 3-(6-AMINOPYRIDIN-2-YL)-2-(TERT-BUTOXYCARBONYL)PROPANOATE
C14H20N2O4 (280.14230000000003)
Boc-(S)-3-Amino-4-(3-pyridyl)-butyric acid
C14H20N2O4 (280.14230000000003)
Boc-(S)-3-Amino-4-(4-pyridyl)-butyric acid
C14H20N2O4 (280.14230000000003)
3-Fluoro-4-(Methoxycarbonyl)benzeneboronic acid pinacol ester
(R)-TERT-BUTYL (1-OXO-1-(2-(PYRIDIN-2-YL)HYDRAZINYL)PROPAN-2-YL)CARBAMATE
C13H20N4O3 (280.15353300000004)
tert-butyl 3-(4-fluorophenyl)piperazine-1-carboxylate
C15H21FN2O2 (280.15869779999997)
3-(2,4-dimethylphenyl)-2-hydrazinylquinazolin-4-one
TERT-BUTYL 4-HYDROXY-2-OXO-5,6,8,9-TETRAHYDRO-1H-PYRIDO[2,3-D]AZEPINE-7(2H)-CARBOXYLATE
C14H20N2O4 (280.14230000000003)
3-(2,3-dimethylphenyl)-2-hydrazinylquinazolin-4-one
(S)-TERT-BUTYL (1-OXO-1-(2-(PYRIDIN-2-YL)HYDRAZINYL)PROPAN-2-YL)CARBAMATE
C13H20N4O3 (280.15353300000004)
tert-butyl 4-(6-fluoropyridin-3-yl)piperidine-1-carboxylate
C15H21FN2O2 (280.15869779999997)
(2S)-2,6-diaminohexanoic acid,(2S)-2-hydroxybutanedioic acid
2-[(TERT-BUTOXY)CARBONYLAMINO]-N-(PHENYLMETHOXY)ACETAMIDE
C14H20N2O4 (280.14230000000003)
2,8-Diazaspiro[4.5]decan-1-one, 2-(phenylmethyl)-, hydrochloride (1:1)
trimethyl-[2-(4-phenylmethoxyphenyl)ethynyl]silane
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridin-3-ylpropanoic acid
C14H20N2O4 (280.14230000000003)
Ciclosidomine
C13H20N4O3 (280.15353300000004)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
4,4,5,5-TETRAMETHYL-2-(4-METHYLSULFANYLMETHOXY-PHENYL)-[1,3,2]DIOXABOROLANE
C14H21BO3S (280.13043860000005)
ethyl 2-(5-{[(tert-butoxy)carbonyl]amino}pyridin-2-yl)acetate
C14H20N2O4 (280.14230000000003)
tert-butyl 4-(4-fluorophenyl)piperazine-1-carboxylate
C15H21FN2O2 (280.15869779999997)
Methyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Boc-(R)-3-Amino-4-(4-pyridyl)-butyric acid
C14H20N2O4 (280.14230000000003)
(1R,5S,7S,8S)-7-Methoxy-8-(phenylmethoxy)-3,6-dioxabicyclo[3.2.1]octane-5-methanol
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
1-BENZYL 2-TERT-BUTYL 1-METHYLHYDRAZINE-1,2-DICARBOXYLATE
C14H20N2O4 (280.14230000000003)
tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate
C13H20N4O3 (280.15353300000004)
octahydro-2,6-dimethyl-3,8:4,7-dimethano-2,6-naphthyridine-4,8-dicarboxylic acid
C14H20N2O4 (280.14230000000003)
TERT-BUTYL 2-AMINO-4-HYDROXY-8,9-DIHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE-7(6H)-CARBOXYLATE
C13H20N4O3 (280.15353300000004)
4-Fluoro-3-methoxycarbonylphenylboronic acid pinacol ester
3-((2-(Benzoyloxy)ethyl)phenylamino)propiononitrile
4,4,5,5-TETRAMETHYL-2-(3-METHYLSULFANYLMETHOXY-PHENYL)-[1,3,2]DIOXABOROLANE
C14H21BO3S (280.13043860000005)
1H-Indole-3-methanamine,N,N-dimethyl-6-(phenylmethoxy)-
2-Methyl-2-propanyl 4-(4-formyl-1H-1,2,3-triazol-1-yl)-1-piperidi necarboxylate
C13H20N4O3 (280.15353300000004)
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
N-[2-(6-Amino-4-methylpyridin-2-yl)ethyl]-4-cyanobenzamide
(3S,3aR,4S,9aS,9bR)-4-hydroxy-3,6,9-trimethyl-3,3a,4,5-tetrahydroazuleno[4,5-b]furan-2,7(9aH,9bH)-dione hydrate
1,4-Phenanthrenedione, 7,8-dihydro-8,8-dimethyl-2-(1-methylethyl)-
2-(Hydroxymethyl)-3-(3-oxo-5-propan-2-yl-4,5,6,7-tetrahydro-1H-2-benzofuran-4-yl)prop-2-enoic acid
4,6-dihydroxy-5a-methyl-3-methylidene-2-oxo-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-9-carbaldehyde
2-[(2-Amino-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
C14H20N2O4 (280.14230000000003)
(S)-alpha-Amino-N-2-naphthyl-1H-imidazole-4-propionamide
9-Hydroxyabscisic acid
An oxo monocarboxylic acid that is (+)-abscisic acid substituted by a hydroxy group at position 9.
(2Z,4E)-5-[(1S,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid
2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-
1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide
5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one
A diarylheptanoid that is hept-6-en-3-one substituted by a 4-hydroxyphenyl group at position 1 and a phenyl group at position 7 respectively. It has been isolated from the rhizomes of Curcuma kwangsiensis.
(3As,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5-oxolane]-2,2-dione
(1S,2S,12S)-3,11-dihydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-4-one
(3R,5S,10S,12R)-12-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one
3-(4-methylphenyl)-N-phenyl-1-pyrrolidinecarboxamide
N-(2-pyridinylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
(E)-N-(4-amino-3-hydroxybutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
C14H20N2O4 (280.14230000000003)
N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboxamide
C14H20N2O4 (280.14230000000003)
(1S,2S)-3,11-dihydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-4-one
Dimethyl cis-3,3-dimethyl-2,3,4,5,6,7-hexahydroinden-1(H)-one-5,6-dicarboxylate
Dimethyl (3AR*,5R*,6R*)-3,3-dimethyl-2,3,3A,4,5,6-hexahydroinden-1(H)-one-5,6-dicarboxylate
4-[5-(1,2-Dihydroxypropan-2-yl)-2-methyloxolan-2-yl]benzoic acid
Dimethyl cis-4-(3-methyl-1-oxo-2-butenyl)-4-cyclohexene-1,2-dicarboxylate
(3aR,5R,5aR,8aS,9aS)-1-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione
Hydroxystilbamidine
C254 - Anti-Infective Agent > C514 - Antifungal Agent
8-hydroxyabscisate
dainate A(1-)
A dicarboxylic acid anion that is conjugate base of dainic acid A, arising from the deprotonation of the carboxy groups and protonation of the pyrrolidine nitrogen. Major species at pH 7.3.
1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
C13H20N4O3 (280.15353300000004)
A dimethylxanthine that is 3,7-dihydro-1H-purine-2,6-dione which is substituted at positions 1,3 and 7 by a 5-hydroxyhexyl group, methyl group and methyl group, respectively.