Exact Mass: 338.0742
Exact Mass Matches: 338.0742
Found 500 metabolites which its exact mass value is equals to given mass value 338.0742,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
AICAR
Aicar, also known as 5-phosphoribosyl-5-amino-4-imidazolecarboxamide or 5-aminoimidazole-4-carboxamide ribotide, is a member of the class of compounds known as 1-ribosyl-imidazolecarboxamides. 1-ribosyl-imidazolecarboxamides are organic compounds containing the imidazole ring linked to a ribose ring through a 1-2 bond. Aicar is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Aicar can be found in a number of food items such as safflower, greenthread tea, common pea, and wild leek, which makes aicar a potential biomarker for the consumption of these food products. Aicar can be found primarily in saliva, as well as in human skeletal muscle tissue. Aicar exists in all living species, ranging from bacteria to humans. In humans, aicar is involved in few metabolic pathways, which include azathioprine action pathway, mercaptopurine action pathway, purine metabolism, and thioguanine action pathway. Aicar is also involved in several metabolic disorders, some of which include mitochondrial DNA depletion syndrome, purine nucleoside phosphorylase deficiency, xanthinuria type II, and gout or kelley-seegmiller syndrome. AICAR also known as ZMP is an analog of AMP that is capable of stimulating AMP-dependent protein kinase activity(AMPK). AICAR is an intermediate in the generation of inosine monophosphate. AICAR is being clinically used to treat and protect against cardiac ischemic injury. AICAR can enter cardiac cells to inhibit adenosine kinase and adenosine deaminase. It enhances the rate of nucleotide re-synthesis increasing adenosine generation from adenosine monophosphate only during conditions of myocardial ischemia. AICAR increases glucose uptake by inducing translocation of GLUT4 and/or by activating the p38 MAPK pathway. Acquisition and generation of the data is financially supported in part by CREST/JST. COVID info from COVID-19 Disease Map D007004 - Hypoglycemic Agents Corona-virus KEIO_ID A133 Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
5-p-Coumaroylquinic acid
5-p-coumaroylquinic acid, also known as trans-5-O-(4-coumaroyl)-D-quinate or P-coumaroyl quinate, belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 5-p-coumaroylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 5-p-coumaroylquinic acid can be found in a number of food items such as wild leek, brussel sprouts, ucuhuba, and lemon grass, which makes 5-p-coumaroylquinic acid a potential biomarker for the consumption of these food products.
4-O-p-Coumaroylquinic acid
4-o-p-coumaroylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 4-o-p-coumaroylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 4-o-p-coumaroylquinic acid can be found in loquat, which makes 4-o-p-coumaroylquinic acid a potential biomarker for the consumption of this food product.
Wighteone
A natural product found in Ficus mucuso. Wighteone is a member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4 and a prenyl group at position 6. It has been isolated from Ficus mucuso. It has a role as a plant metabolite and an antifungal agent. It is functionally related to an isoflavone. Wighteone is a natural product found in Genista ephedroides, Erythrina suberosa, and other organisms with data available. A member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4 and a prenyl group at position 6. It has been isolated from Ficus mucuso. Wighteone is a compound isolated from the aerial parts of Genista ephedroides[1]. Wighteone is a compound isolated from the aerial parts of Genista ephedroides[1].
Demethoxycurcumin
[Raw Data] CBA69_Demethoxycurcum_neg_50eV.txt [Raw Data] CBA69_Demethoxycurcum_neg_40eV.txt [Raw Data] CBA69_Demethoxycurcum_pos_10eV.txt [Raw Data] CBA69_Demethoxycurcum_pos_20eV.txt [Raw Data] CBA69_Demethoxycurcum_neg_10eV.txt [Raw Data] CBA69_Demethoxycurcum_pos_40eV.txt [Raw Data] CBA69_Demethoxycurcum_neg_30eV.txt [Raw Data] CBA69_Demethoxycurcum_pos_30eV.txt [Raw Data] CBA69_Demethoxycurcum_neg_20eV.txt [Raw Data] CBA69_Demethoxycurcum_pos_50eV.txt Demethoxycurcumin is the main active component of curcumin and has been shown to have anti-inflammatory and toxic effects on cancer cells. Demethoxycurcumin is the main active component of curcumin and has been shown to have anti-inflammatory and toxic effects on cancer cells.
Glyceollin I
Glyceollin I is found in pulses. Phytoalexin from soybean seedlings.
O-Methylsterigmatocystin
O-Methylsterigmatocystin is a mycotoxin of Aspergillus flavu D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Imidazoleacetic acid ribotide
Imidazoleacetic acid ribotide (IAA-RP ) is an endogenous ligand that stimulates imidazol(in)e receptors. Experimental data suggest that IAA-RP may participate in transsynaptic signaling in brain, because it exists in brainstem neurons, exhibits depolarization-induced Ca2+-dependent release from P2 synaptosomal elements, has relatively high affinity for membrane-bound I-R sites, and produces physiological effects on exogenous application. IAA-RP is rapidly metabolized by phosphatases and ecto-5-nucleotidases. (PMID: 15365189) [HMDB] Imidazoleacetic acid ribotide (IAA-RP) is an endogenous ligand that stimulates imidazol(in)e receptors. Experimental data suggest that IAA-RP may participate in transsynaptic signaling in brain, because it exists in brainstem neurons, exhibits depolarization-induced Ca2+-dependent release from P2 synaptosomal elements, has relatively high affinity for membrane-bound I-R sites, and produces physiological effects on exogenous application. IAA-RP is rapidly metabolized by phosphatases and ecto-5-nucleotidases. (PMID: 15365189).
Glepidotin A
A trihydroxyflavone that is galangin substituted by a prenyl group at position 8.
Glyceollin II
Phytoalexin from Glycine max (soybean). Glyceollin II is found in soy bean, fats and oils, and pulses. Glyceollin II is found in fats and oils. Phytoalexin from Glycine max (soybean).
Dichlorophenyl-bis-triazolylpropanol
Glyceollin III
Phytoalexin from Glycine max (soybean). Glyceollin III is found in soy bean, fats and oils, and pulses. Glyceollin III is found in fats and oils. Phytoalexin from Glycine max (soybean).
6-(2-Amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate
Versicolorin A
An organic heteropentacyclic compound that is 3a,12a-dihydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione carrying three hydroxy substituents at positions 4, 6 and 8.
Pyrithiamine bromide
4-Methylumbelliferyl-galactopyranoside
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Demethoxycurcumin
Demethoxycurcumin is a beta-diketone that is curcumin in which one of the methoxy groups is replaced by hydrogen. It is found in Curcuma zedoaria and Etlingera elatior. It has a role as a metabolite, an antineoplastic agent and an anti-inflammatory agent. It is a polyphenol, a beta-diketone, an enone and a diarylheptanoid. Demethoxycurcumin is a natural product found in Curcuma amada, Curcuma aeruginosa, and other organisms with data available. Isolated from Curcuma zedoaria (zedoary), Curcuma longa (turmeric), Curcuma xanthorrhiza (Java turmeric). Demethoxycurcumin is found in many foods, some of which are beverages, herbs and spices, turmeric, and root vegetables. Demethoxycurcumin is found in beverages. Demethoxycurcumin is isolated from Curcuma zedoaria (zedoary), Curcuma longa (turmeric), Curcuma xanthorrhiza (Java turmeric). A beta-diketone that is curcumin in which one of the methoxy groups is replaced by hydrogen. It is found in Curcuma zedoaria and Etlingera elatior. Demethoxycurcumin is the main active component of curcumin and has been shown to have anti-inflammatory and toxic effects on cancer cells. Demethoxycurcumin is the main active component of curcumin and has been shown to have anti-inflammatory and toxic effects on cancer cells.
Lupiwighteone
Lupiwighteone is a member of isoflavones. Lupiwighteone is a natural product found in Anthyllis hermanniae, Erythrina sigmoidea, and other organisms with data available. Isolated from Glycyrrhiza uralensis (Chinese licorice) and Vigna angularis (azuki bean). Lupiwighteone is found in herbs and spices, pulses, and adzuki bean. Lupiwighteone is found in adzuki bean. Lupiwighteone is isolated from Glycyrrhiza uralensis (Chinese licorice) and Vigna angularis (azuki bean).
3'-(gamma,gamma-Dimethylallyl)genistein
Isowighteone is a member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4 and a prenyl group at position 3. It has been isolated from Ficus mucuso. It has a role as a plant metabolite. It is functionally related to an isoflavone. Isowighteone is a natural product found in Sophora tomentosa, Erythrina addisoniae, and other organisms with data available. A member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4 and a prenyl group at position 3. It has been isolated from Ficus mucuso. 3-(gamma,gamma-Dimethylallyl)genistein is found in pigeon pea. 3-(gamma,gamma-Dimethylallyl)genistein is isolated from Cajanus cajan (pigeon pea). Isolated from Cajanus cajan (pigeon pea). 3-(gamma,gamma-Dimethylallyl)genistein is found in pigeon pea and pulses.
3-O-p-Coumaroylquinic acid
3-O-p-Coumaroylquinic acid is found in apple. 3-O-p-Coumaroylquinic acid is found in cider apples, tea, cacao etc
Methuyl tanshinonate
Constituent of Salvia sclarea (Clary sage). Methuyl tanshinonate is found in tea, alcoholic beverages, and herbs and spices. Methuyl tanshinonate is found in alcoholic beverages. Methuyl tanshinonate is a constituent of Salvia sclarea (Clary sage).
3,4,5-trihydroxy-6-[(2-oxo-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid
3,4,5-trihydroxy-6-[(2-oxo-2H-chromen-3-yl)oxy]oxane-2-carboxylic acid
2-O-Acetyl-trans-coutaric acid
2-O-Acetyl-trans-coutaric acid is found in green vegetables. 2-O-Acetyl-trans-coutaric acid is a constituent of spinach Constituent of spinach. 2-O-Acetyl-trans-coutaric acid is found in green vegetables.
6alpha-Hydroxyphaseollin
Phytoalexin from soybeans (Glycine max) infected by Phytophthora species 6alpha-Hydroxyphaseollin is found in many foods, some of which are green bean, soy bean, pulses, and common bean. 6alpha-Hydroxyphaseollin is found in common bean. Phytoalexin from soybeans (Glycine max) infected by Phytophthora sp
6-Demethylgriseofulvin
6-demethylgriseofulvin belongs to the family of Methoxyphenols and Derivatives. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
alpha-Hydrojuglone 4-O-b-D-glucoside
alpha-Hydrojuglone 4-O-b-D-glucoside is found in black walnut. alpha-Hydrojuglone 4-O-b-D-glucoside is isolated from Juglans specie Isolated from Juglans subspecies alpha-Hydrojuglone 4-O-b-D-glucoside is found in black walnut, common walnut, and nuts.
Licoagroaurone
Licoagroaurone is found in herbs and spices. Licoagroaurone is isolated from hairy root cultures of Glycyrrhiza glabra (licorice Isolated from hairy root cultures of Glycyrrhiza glabra (licorice). Licoagroaurone is found in tea and herbs and spices.
3,4,5-trihydroxy-6-[(2-oxo-2H-chromen-4-yl)oxy]oxane-2-carboxylic acid
3,4,5-trihydroxy-6-[(2-oxo-2H-chromen-5-yl)oxy]oxane-2-carboxylic acid
3,4,5-trihydroxy-6-[(2-oxo-2H-chromen-8-yl)oxy]oxane-2-carboxylic acid
3,4,5-trihydroxy-6-[(2-oxo-2H-chromen-6-yl)oxy]oxane-2-carboxylic acid
Ovalitenone
Ovalitenone is found in fruits. Ovalitenone is isolated from Rhus chinensis (Chinese gall
N-(Carbomethoxyacetyl)-4-S-chlorotryptophan
N-(Carbomethoxyacetyl)-4-S-chlorotryptophan is found in pulses. N-(Carbomethoxyacetyl)-4-S-chlorotryptophan is isolated from Pisum sativum (pea
Hydrojuglone glucoside
Hydrojuglone glucoside is found in common walnut. Hydrojuglone glucoside is a constituent of the leaves of Carya illinoensis (pecan). Constituent of the leaves of Carya illinoensis (pecan). Hydrojuglone glucoside is found in common walnut and nuts.
Umbelliferone glucuronide
7-(alpha-D-Glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one
1H-Imidazole-4-carboxamide, 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-
inosine pyruvate
L-Ascorbic acid 2-glucoside
5,6-Dihydro-4-(2-methylpropyl)amino-4H-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide
D004791 - Enzyme Inhibitors > D002257 - Carbonic Anhydrase Inhibitors
Tilmacoxib
(5R)-5-[(1S)-1,2-Dihydroxyethyl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolane-2,4-dione
4-p-Coumaroylquinic acid
4-p-coumaroylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 4-p-coumaroylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 4-p-coumaroylquinic acid can be found in a number of food items such as pear, apricot, gooseberry, and sweet cherry, which makes 4-p-coumaroylquinic acid a potential biomarker for the consumption of these food products.
alpha-N-Carbomethoxyacetyl-4-chloro-D-tryptophan
Alpha-n-carbomethoxyacetyl-4-chloro-d-tryptophan is a member of the class of compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Alpha-n-carbomethoxyacetyl-4-chloro-d-tryptophan is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Alpha-n-carbomethoxyacetyl-4-chloro-d-tryptophan can be found in common pea, which makes alpha-n-carbomethoxyacetyl-4-chloro-d-tryptophan a potential biomarker for the consumption of this food product.
Tuberosin
Tuberosin is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Tuberosin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Tuberosin can be found in potato, which makes tuberosin a potential biomarker for the consumption of this food product.
sinapoyl-(S)-malate
Sinapoyl-(s)-malate belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Sinapoyl-(s)-malate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Sinapoyl-(s)-malate can be found in a number of food items such as pot marjoram, common bean, boysenberry, and tinda, which makes sinapoyl-(s)-malate a potential biomarker for the consumption of these food products.
Coumaroylquinic acid (p-)
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one dihydrate
0DQ85982ZY
Licoflavone C is a natural product found in Genista ephedroides, Artocarpus altilis, and other organisms with data available. See also: Glycyrrhiza inflata root (part of).
Citflavanone
Broussoaurone A
5,7,4-Trihydroxy-8-(1,1-dimethylprop-2-enyl)isoflavone
5,7-Dihydroxy-8-C-(gamma-methyl-gamma-formylallyl)flavanone
5-Deoxyglyasperin F
A hydroxyisoflavanone that is 2,3-dihydro-2H,4H-3,8-bichromen-4-one substituted by hydroxy groups at positions 5 and 7 and geminal methyl groups at position 2. Isolated from the roots of Erythrina lysistemon, it exhibits anti-HIV activity.
3-O-p-Coumaroylquinic acid
3-O-p-Coumaroylquinic acid is found in apple. 3-O-p-Coumaroylquinic acid is found in cider apples, tea, cacao etc
Ascorbic acid 2-glucoside
2-O-β-D-Glucopyranosyl-L-ascorbic acid (AA-2βG), isolated from Lycium chinense, is a stable vitamin C analog with anti-tumor activity[1].
6-Prenylapigenin
6-Prenylapigenin is a natural product found in Ficus glumosa, Maclura cochinchinensis, and other organisms with data available.
Yinyanghuo D
5-Hydroxy-2-methoxy-3,4-methylenedioxyfurano[2,3:4,3]chalcone
3,4,2-Trihydroxy-6,6-dimethylpyrano[2,3:4,3]chalcone
2-(2-Thienylcarbonyl)-3-[4-(trifluoromethoxy)anilino]acrylonitrile
p-Coumaroylquinic acid
A cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 4-hydroxy group of (-)-quinic acid.
Topopyrone D
A naphthochromene that is 4H-naphtho[2,3-g]chromene-4,6,11-trione substituted by hydroxy groups at positions 5, 7 and 9 and a methyl group at position 2. It is isolated from fungal strains Phoma and Penicillium and acts as an inhibitor of the enzyme topoisomerase I. D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors D004791 - Enzyme Inhibitors
1,4,5,8-tetrahydroxy-2 isopentadienyl anthraquinone
3-Acetoxy-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-6-one
TOPOPYRONE C
A naphthochromene that is 4H-naphtho[2,3-h]chromene-4,7,12-trione substituted by hydroxy groups at positions 5, 9 and 11 and a methyl group at position 2. It is isolated from fungal strains Phoma and Penicillium and acts as an inhibitor of the enzyme topoisomerase I. D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors D004791 - Enzyme Inhibitors
3-deoxy-6-O-desmethylcandidusin B
A member of the class of dibenzofurans that is dibenzo[b,d]furan substituted by a 4-hydroxyphenyl group at position 3, hydroxy groups at positions 1, 7 and 8 and a methoxy group at position 4. It has been isolated from the culture of the mangrove endophytic fungus Penicillium chermesinum.
decurrenside D|methyl 7-{(benzoyloxy)methyl}-3,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octane-3-carboxylate
methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methyl-phenoxy)-5-methoxy-benzoate
(+)-1,6,8,11-tetrahydroxy-3-methyl-5,6-dihydro-benzo[a]anthracene-7,12-dione|landomycinone
O1-((1R)-trans-2-hydroxy-1,2-dihydro-[1]naphthyl)-beta-D-glucopyranuronic acid|O1-((1R)-trans-2-Hydroxy-1,2-dihydro-[1]naphthyl)-beta-D-glucopyranuronsaeure
O-beta-D-Glucopyranoside-2-Hydroxy-5-methyl-4H-1-benzopyran-4-one
(2S)-2-hydroxy-2-[(2S,3S,4R)-4-hydroxy-3-methoxy-5-oxotetrahydrofuran-2-yl]ethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate|bombalin
2-Methyl-2-(3-hydroxy-4-methyl-4-pentenyl)-7-bromo-2H-1-benzopyran-6-ol
5-Aminoimidazole-4-carboxamide-1-β-D-ribofuranosyl 5-monophosphate
BMK1-G2
Quercetin dihydrate, a natural flavonoid, is a stimulator of recombinant SIRT1 and a PI3K inhibitor with IC50s of 2.4 μM, 3.0 μM and 5.4 μM for PI3K γ, PI3K δ and PI3K β, respectively[1]. Quercetin dihydrate, a natural flavonoid, is a stimulator of recombinant SIRT1 and a PI3K inhibitor with IC50s of 2.4 μM, 3.0 μM and 5.4 μM for PI3K γ, PI3K δ and PI3K β, respectively[1].
Coumaroylquinic acid
5-p-coumaroylquinic acid is a cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 5-hydroxy group of (-)-quinic acid. It has a role as a metabolite. It is a cinnamate ester and a cyclitol carboxylic acid. It is functionally related to a (-)-quinic acid and a 4-coumaric acid. trans-5-O-(4-coumaroyl)-D-quinic acid is a natural product found in Lonicera japonica, Kunzea ambigua, and other organisms with data available. The 5-O-(4-coumaroyl) derivative of (-)-quinic acid.
3-p-coumaroylquinic acid
A cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 3-hydroxy group of quinic acid.
Aica ribonucleotide
A 1-(phosphoribosyl)imidazolecarboxamide that is acadesine in which the hydroxy group at the 5 position has been converted to its monophosphate derivative. COVID info from COVID-19 Disease Map D007004 - Hypoglycemic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
5-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
(3-chloro-2,6-dihydroxy-4-methoxyphenyl)-(4-hydroxy-2-methoxy-6-methylphenyl)methanone
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
3,6,8-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
C16H18O8_beta-D-Glucopyranoside, 4,8-dihydroxy-1-naphthalenyl
C16H18O8_(1S,3R,4S,5R)-1,3,5-Trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid
C16H18O8_Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1R,3R,4S,5R)
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-?-D-RIBOFURANOSYL 5-MONOPHOSPHATE
Coumaroyl quinic acid (isomer of 758, 760)
Annotation level-3
Coumaroyl quinic acid (isomer of 758, 759)
Annotation level-3
Coumaroyl quinic acid (isomer of 759, 760)
Annotation level-2
7-Hydroxy-4-methyl-2H-1-benzopyran-2-one, 9CI, O-beta-D-Glucopyranoside
Origin: Plant, Coumarins
3,6,8-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based: Match]
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid [IIN-based: Match]
3,6,8-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based on: CCMSLIB00000848965]
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANOSYL 5'-MONOPHOSPHATE
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-RIBOFURANOSYL 5-MONOPHOSPHATE
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid_85.5\\%
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid_major
Cys Cys Gly Gly
Cys Gly Cys Gly
Cys Gly Gly Cys
Gly Cys Cys Gly
Gly Cys Gly Cys
Gly Gly Cys Cys
o-coumaroylquinic acid
N-(Carbomethoxyacetyl)-4-S-chlorotryptophan
alpha-Hydrojuglone-4-glucoside
2-O-Acetyl-trans-coutaric acid
6-Demethylgriseofulvin
Tilmacoxib
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
Brodimoprim
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EA - Trimethoprim and derivatives C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D000890 - Anti-Infective Agents
Fluquazone
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
4-Methylumbelliferyl α-L-Idopyranoside
(3aR,4R,5R,6aS)-4-[(1E)-4-(3-Chlorophenoxy)-3-hydroxy-1-buten-1-yl]hexahydro-5-hydroxy-2H-cyclopenta[b]furan-2-one
4-amino-1-(4-fluoro-benzyl)-piperidine-4-carboxylic acid methyl ester dihydrochloride
4-ethyl-7-[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one
Benzonitrile, 3,3-(2,3,5,6-tetrahydro-3,6-dioxopyrrolo3,4-cpyrrole-1,4-diyl)bis-
2-benzylsulfanyl-4-chloro-6-(diethoxymethyl)pyrimidine
Benzenesulfonamide,4-methyl-N-[4-(phenylamino)phenyl]-
3,3-Dimethoxy-4,4-biphenylbis(diazonium) dichloride
Benzo(b)thiophen-3-amine, 2-nitro-N-(3-(trifluoromethyl)phenyl)-
3-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Pyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione,5-azido-1,3,8-trimethyl-6-phenyl-
1,2:5,6-Di-O-isopropylidene-3-O-(methylsulfonyl)-α-D-glucofuranose
[1,1-Biphenyl]-4,4-bis(diazonium),3,3-dimethoxy-, chloride (1:2)
(3AR,4R,5R,6AS)-4-((R,E)-4-(3-CHLOROPHENOXY)-3-HYDROXYBUT-1-EN-1-YL)-5-HYDROXYHEXAHYDRO-2H-CYCLOPENTA[B]FURAN-2-ONE
N-(3-CHLORO-4-ISOQUINOLINYL)-2-(CYCLOPROPYLAMINO)-3-PYRIDINECARBOXAMIDE
N-((4-Methoxybenzyl)oxy)-2-nitrobenzenesulfonamide
Methyl 2-(2-hydroxy-4,5-diMethoxybenzaMido)thiazole-4-carboxylate
7-(alpha-D-Glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one
4-methylumbelliferyl α-D-galactoside
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
TERT-BUTYL (2-(5-BROMO-1H-INDOL-3-YL)ETHYL)CARBAMATE
2-[4-(1-Methylethyl)phenyl]-6-phenyl-4H-thiopyran-4-one 1,1-dioxide
3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
4-CYCLOHEXYLPIPERAZINE-1-CARBOXIMIDAMIDE HYDROIODIDE
N,N-Bis-(6-chloro-pyrimidin-4-yl)-cyclohexane-1,4-diamine
7-Quinolinol, 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-
CAFFEINE and SODIUM BENZOATE
V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CG - Tests for gastric secretion
tert-Butyl 4-chloro-2-morpholino-7H-pyrrolo[2,3-d]pyrimidine-7-carboxylate
Lonapalene
C78284 - Agent Affecting Integumentary System > C29708 - Anti-psoriatic Agent
8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)oxamide
2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione
2-methyl-3-[[(E)-(5-methyl-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]quinazolin-4-one
2-(4-Chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
(1S,6S)-7-Chloro-2-hydroxy-4,6-dimethoxy-6-methylspiro[benzofuran-2(3H),1-[2]cyclohexene]-3,4-dione
N-(2-Chloro-4-fluorobenzoyl)-N-(5-hydroxy-2-methoxyphenyl)urea
[(4R)-4-(3-Hydroxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-YL](phenyl)methanone
(5Z)-13-Chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione
(1Z,6S)-6-[(2-aminoacetyl)amino]-7-hydroxy-7-oxo-N-[(1S)-1-phosphonoethyl]heptanimidate
N-(Carbomethoxyacetyl)-4-S-chlorotryptophan
N-(Carbomethoxyacetyl)-4-S-chlorotryptophan is found in pulses. N-(Carbomethoxyacetyl)-4-S-chlorotryptophan is isolated from Pisum sativum (pea Isolated from Pisum sativum (pea). N-(Carbomethoxyacetyl)-4-chloro-L-tryptophan is found in pulses and common pea.
1H-Imidazole-4-carboxamide, 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-
Produced by the action of brewers yeast on the riboside. The 5-phosphate and its nontoxic salts are potent flavour enhancers of soups, canned foods, beverages, etc [DFC]. Acadesine 5-monophosphate is found in herbs and spices.
(3aS)-5a-Hydroxy-3aalpha,5a,6,12aalpha-tetrahydro-4-hydroxyanthra[2,3-b]furo[3,2-d]furan-5,6,10-trione
6-(2-azaniumyl-2-carboxylatoethyl)-7-hydroxy-8-oxo-2,3,4,7-tetrahydro-1H-quinoline-2,4-dicarboxylate
(2R,3S)-2-acetyloxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybutanedioic acid
(2S)-2-amino-5-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-(disulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
(2-Oxo-3-phosphonooxypropyl) 8-methyl-3-oxononanoate
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfinamoylpropan-2-yl]amino]-5-oxopentanoic acid
3,8,11-Trihydroxy-1-methyl-12H-benzo[b]xanthene-7,10,12-trione
[3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl 2-oxopropanoate
4-[4-[(Z)-2-carboxylatoethenyl]-2,6-dimethoxyphenoxy]-3-hydroxy-4-oxobutanoate
6-(3-Chloroanilino)-9-cyclopentyl-2-purinecarbonitrile
1-Benzo[b]thiophen-2-ylmethyl-7-nitro-1H-indole-2,3-dione
8-Methoxy-3-(phenylmethyl)pyrimido[2,1-b][1,3]benzothiazole-2,4-dione
2-[[2-[(2-Methoxy-2-oxoethyl)thio]-4-oxo-3-quinazolinyl]oxy]acetic acid methyl ester
5-(4-Methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
N-(5-benzoyl-4-phenyl-2-thiazolyl)carbamic acid methyl ester
6-methoxy-N-(thiophen-2-ylmethyl)-2-furo[2,3-b]quinolinecarboxamide
2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
4-methyl-N-(3-nitrophenyl)-5-phenyl-3-thiophenecarboxamide
4-(4-chlorophenyl)-3-(2-quinolinyl)-1H-1,2,4-triazole-5-thione
2-[[(5-Methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazole
3-Pyridinecarboxylic acid 2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]ethyl ester
5-[2-(5-Methoxycarbonyl-2-thiophenyl)butan-2-yl]-2-thiophenecarboxylic acid methyl ester
6-[6-(3-Methoxyphenyl)-2,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-ylidene]-1-cyclohexa-2,4-dienone
N-methyl-3-[2-(trifluoromethyl)-10-phenothiazinyl]-1-propanamine
(6S,7R,8S)-7-(4-bromophenyl)-4-ethyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-7-(4-bromophenyl)-4-ethyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-7-(4-bromophenyl)-4-ethyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-7-(4-bromophenyl)-4-ethyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-7-(4-bromophenyl)-4-ethyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-7-(4-bromophenyl)-4-ethyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-7-(4-bromophenyl)-4-ethyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-7-(4-bromophenyl)-4-ethyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
[4-[3-(2,5-Dihydroxyphenyl)-3-oxopropyl]phenyl] hydrogen sulate
[3-(3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate
[3-(2,5-Dihydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid
[3-[3-(2,5-Dihydroxyphenyl)-3-oxopropyl]phenyl] hydrogen sulate
[3-(3,4-Dihydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid
[3-[3-(3,4-Dihydroxyphenyl)-3-oxopropyl]phenyl] hydrogen sulate
(1R,3S,4R,5S)-1,3,4-Trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-cyclohexane-1-carboxylic acid
(3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
O-Methylsterigmatocystin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
1H-Imidazole-4-carboxamide, 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-
trans-4-p-coumaroylquinic acid
A 4-p-coumaroylquinic acid in which the double bond adopts a trans-configuration.
5-p-coumaroylquinic acid
A cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 5-hydroxy group of (-)-quinic acid.
1-Naphthyl 3,5-dinitrobenzoate
1-Naphthyl 3,5-dinitrobenzoate is a potent 5-lipoxygenase inhibitor with IC50 values of 1.04 μM and 3.6 μM for 5-LOX and mPGES-1, respectively. 1-Naphthyl 3,5-dinitrobenzoate has strong inhibition activity in the human whole blood (HWB) assay with an IC50 value of 8.6 μM. 1-Naphthyl 3,5-dinitrobenzoate can be used in research of inflammation[1].
(1r,3s,4s,5r)-1,3,4-trihydroxy-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid
(5r)-5-[(1s)-1,2-dihydroxyethyl]-4-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5h-furan-2-one
(16s,17r,18r)-8,11,17,18-tetrahydroxy-16-methyl-13,14-diazapentacyclo[10.6.1.0²,¹⁰.0⁴,⁹.0¹⁵,¹⁹]nonadeca-1(19),2(10),4,6,8,11,14-heptaen-3-one
4a,8,12b-trihydroxy-4-methyl-1h-tetraphene-2,7,12-trione
2-amino-4-({2-disulfanyl-1-[(c-hydroxycarbonimidoylmethyl)-c-hydroxycarbonimidoyl]ethyl}-c-hydroxycarbonimidoyl)butanoic acid
(4s,8r)-2,15,18-trihydroxy-7,9-dioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaene-13,20-dione
3,4,8-trihydroxy-3-methyl-2,4-dihydrotetraphene-1,7,12-trione
2,16,18-trihydroxy-7,9-dioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,5,10,14,16,18-heptaene-13,20-dione
n-[(1z,3z)-3-cyano-1-(3,4-dihydroxyphenyl)-3-[(3,4-dihydroxyphenyl)methylidene]prop-1-en-2-yl]carboximidic acid
1,4-dimethyl 2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butanedioate
9-(3-chloro-2-hydroxy-3-methylbutoxy)-4-hydroxyfuro[3,2-g]chromen-7-one
5-bromo-2-(3,7-dimethylocta-2,6-dien-1-yl)-4-methoxyphenol
3-[(2r,4s,6r)-10-hydroxy-11,12-dimethoxy-8-oxo-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-4-yl]propanoic acid
methyl (1s,3r,5r,7r,8s)-7-[(benzoyloxy)methyl]-3,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octane-3-carboxylate
methyl 4-chloro-3-hydroxy-2-(3-hydroxy-5-methylphenoxy)-5-methoxybenzoate
(2e)-3-(2h-1,3-benzodioxol-5-yl)-1-(7-hydroxy-4-methoxy-1-benzofuran-5-yl)prop-2-en-1-one
1,2,4-trihydroxynaphthalene-4-glucoside
{"Ingredient_id": "HBIN000665","Ingredient_name": "1,2,4-trihydroxynaphthalene-4-glucoside","Alias": "NA","Ingredient_formula": "C16H18O8","Ingredient_Smile": "C1=CC=C2C(=C1)C(=CC(=C2O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21795","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-acetyl-3-(p-coumaroyl)-meso-tartaric acid
{"Ingredient_id": "HBIN005125","Ingredient_name": "2-acetyl-3-(p-coumaroyl)-meso-tartaric acid","Alias": "NA","Ingredient_formula": "C15H14O9","Ingredient_Smile": "CC(=O)OC(C(C(=O)O)OC(=O)C=CC1=CC=C(C=C1)O)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26108","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-O-Acetyl-trans-coutaric acid
{"Ingredient_id": "HBIN006185","Ingredient_name": "2-O-Acetyl-trans-coutaric acid","Alias": "NA","Ingredient_formula": "C15H14O9","Ingredient_Smile": "CC(=O)OC(C(C(=O)O)OC(=O)C=CC1=CC=C(C=C1)O)C(=O)O","Ingredient_weight": "338.27 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "360","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "145453474","DrugBank_id": "NA"}
2-o-(beta-d-glucopyranosyl)-ascorbic acid
{"Ingredient_id": "HBIN006197","Ingredient_name": "2-o-(beta-d-glucopyranosyl)-ascorbic acid","Alias": "NA","Ingredient_formula": "C12H18O11","Ingredient_Smile": "C(C1C(C(C(C(O1)OC2=C(C(OC2=O)C(CO)O)O)O)O)O)O","Ingredient_weight": "338.26 g/mol","OB_score": "7.559324696","CAS_id": "NA","SymMap_id": "SMIT10730","TCMID_id": "NA","TCMSP_id": "MOL009630","TCM_ID_id": "NA","PubChem_id": "54706833","DrugBank_id": "NA"}
3'-hydroxy,3,5'-dimethoxy furo[8,7:4'',5'']flavone
{"Ingredient_id": "HBIN008651","Ingredient_name": "3'-hydroxy,3,5'-dimethoxy furo[8,7:4'',5'']flavone","Alias": "NA","Ingredient_formula": "C19H14O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10028","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-p-cis-coumaroylquinicacid
{"Ingredient_id": "HBIN011873","Ingredient_name": "5-p-cis-coumaroylquinicacid","Alias": "NA","Ingredient_formula": "C16H18O8","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O","Ingredient_weight": "338.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14783","TCMID_id": "4182","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "90478782","DrugBank_id": "NA"}
5-p-trans-coumaroylquinicacid
{"Ingredient_id": "HBIN011891","Ingredient_name": "5-p-trans-coumaroylquinicacid","Alias": "NA","Ingredient_formula": "C16H18O8","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14784","TCMID_id": "4183","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9-ethoxy-aristololactone
{"Ingredient_id": "HBIN014095","Ingredient_name": "9-ethoxy-aristololactone","Alias": "NA","Ingredient_formula": "C19H14O6","Ingredient_Smile": "CCOC1=C2C(=C3C4=C1OC(=O)C4=CC5=C3OCO5)C=CC=C2OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7394","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alpha-hydrojuglone glucoside
{"Ingredient_id": "HBIN015552","Ingredient_name": "alpha-hydrojuglone glucoside","Alias": "\u03b1-hydrojuglone glucoside","Ingredient_formula": "C16H18O8","Ingredient_Smile": "C1=CC2=C(C=CC(=C2C(=C1)O)OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31136;9720","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
