Exact Mass: 338.0758798
Exact Mass Matches: 338.0758798
Found 500 metabolites which its exact mass value is equals to given mass value 338.0758798,
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
Dimefuron
C15H19ClN4O3 (338.11456139999996)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3166
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
C10H15N2O9P (338.05151500000005)
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
AA-2G
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].
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
C14H19BrN4O (338.07421439999996)
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
C16H15ClO6 (338.05571199999997)
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.
Moracin H
Moracin H is found in fruits. Moracin H is from Morus alba (white mulberry) infected with Fusarium solani.
Otobanone
Otobanone is found in herbs and spices. Otobanone is isolated from nutmeg (Myristica fragrans
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
C15H15ClN2O5 (338.06694500000003)
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
C16H19FN2O3S (338.11003560000006)
(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
C15H15ClN2O5 (338.06694500000003)
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
C15H10O7.2[H2O] (338.06377940000004)
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).
Ficinin
Citflavanone
Broussoaurone A
Neotenone
5,7,4-Trihydroxy-8-(1,1-dimethylprop-2-enyl)isoflavone
alpha-N-Carbomethoxyacetyl-D-4-chlorotryptophan
C15H15ClN2O5 (338.06694500000003)
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.
Moracin H
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
Methyl tanshinonate
(2S)-5-hydroxy-7-methoxy-8-[(E)-3-oxo-1-butenyl]flavanone
A monohydroxyflavanone that is (2S)-flavanone substituted by a hydroxy group at position 5, a methoxy group at position 7 and a (1E)-3-oxobut-1-en-1-yl group at position 8. Isolated from Tephrosia toxicaria, it exhibits anti-cancerous activity.
curcumin II
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.
Crotalarin
D007155 - Immunologic Factors > D000373 - Agglutinins > D037121 - Plant Lectins D007155 - Immunologic Factors > D000373 - Agglutinins > D037102 - Lectins
Glyinflanin B
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
8-(3-chloro-2-hydroxy-3-methylbutoxy)psoralen
C16H15ClO6 (338.05571199999997)
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
C16H15ClO6 (338.05571199999997)
(+)-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
Saintopin
A member of the class of tetracenequinones that is tetracene-5,12-dione in which the hydrogens at positions 1, 3, 8, 10, and 11 have been replaced by hydroxy groups. Isolated from Paecilomyces.
(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
C16H19BrO3 (338.05174839999995)
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
C16H15ClO6 (338.05571199999997)
(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
C15H15ClN2O5 (338.06694500000003)
alpha-Hydrojuglone-4-glucoside
2-O-Acetyl-trans-coutaric acid
6-Demethylgriseofulvin
C16H15ClO6 (338.05571199999997)
Tilmacoxib
C16H19FN2O3S (338.11003560000006)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
2,2-[Sulfonylbis(4,1-phenyleneoxy)]diethanol
C16H18O6S (338.08240480000006)
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
C14H21Cl2FN2O2 (338.09640379999996)
4-ethyl-7-[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one
C16H18O6S (338.08240480000006)
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]-
C19H18N2O2S (338.10889280000004)
5,7-dimethoxy-3-pyridin-4-ylquinoline
C16H16Cl2N2O2 (338.05887759999996)
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
(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
Allyl(triphenyl)phosphonium chloride
C21H20ClP (338.09910800000006)
N-((4-Methoxybenzyl)oxy)-2-nitrobenzenesulfonamide
C14H14N2O6S (338.05725440000003)
1,4-BIPIPERIDINE-1-CARBOXIMIDAMIDE HYDROIODIDE
C11H23IN4 (338.09673879999997)
Methyl 2-(2-hydroxy-4,5-diMethoxybenzaMido)thiazole-4-carboxylate
C14H14N2O6S (338.05725440000003)
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
C15H19BrN2O2 (338.06298139999996)
2-[4-(1-Methylethyl)phenyl]-6-phenyl-4H-thiopyran-4-one 1,1-dioxide
4-CYCLOHEXYLPIPERAZINE-1-CARBOXIMIDAMIDE HYDROIODIDE
C11H23IN4 (338.09673879999997)
Benzene,4-(chloromethyl)-1,2-bis(phenylmethoxy)-
C21H19ClO2 (338.10735040000003)
N,N-Bis-(6-chloro-pyrimidin-4-yl)-cyclohexane-1,4-diamine
C14H16Cl2N6 (338.08134359999997)
7-Quinolinol, 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-
C19H15FN2O3 (338.10666519999995)
CAFFEINE and SODIUM BENZOATE
C15H15N4NaO4 (338.09909500000003)
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
C15H19ClN4O3 (338.11456139999996)
Lonapalene
C16H15ClO6 (338.05571199999997)
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-O-methyluridine 5-monophosphate
C10H15N2O9P (338.05151500000005)
2-(4-Chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile
C19H12ClFN2O (338.06221439999996)
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
C19H18N2O2S (338.10889280000004)
(1S,6S)-7-Chloro-2-hydroxy-4,6-dimethoxy-6-methylspiro[benzofuran-2(3H),1-[2]cyclohexene]-3,4-dione
C16H15ClO6 (338.05571199999997)
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
C19H18N2O2S (338.10889280000004)
5-Hydroxymethyluridine-2-deoxy-5-monophosphate
C10H15N2O9P (338.05151500000005)
(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
C15H15ClN2O5 (338.06694500000003)
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
C10H18N4O7S (338.08961580000005)
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
C15H14O9-2 (338.06377940000004)
6-(3-Chloroanilino)-9-cyclopentyl-2-purinecarbonitrile
N(3)-methyluridine 5-monophosphate
C10H15N2O9P (338.05151500000005)
8-Methoxy-3-(phenylmethyl)pyrimido[2,1-b][1,3]benzothiazole-2,4-dione
C18H14N2O3S (338.07250940000006)
2-[[2-[(2-Methoxy-2-oxoethyl)thio]-4-oxo-3-quinazolinyl]oxy]acetic acid methyl ester
C14H14N2O6S (338.05725440000003)
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
C18H14N2O3S (338.07250940000006)
6-methoxy-N-(thiophen-2-ylmethyl)-2-furo[2,3-b]quinolinecarboxamide
C18H14N2O3S (338.07250940000006)
2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
4-methyl-N-(3-nitrophenyl)-5-phenyl-3-thiophenecarboxamide
C18H14N2O3S (338.07250940000006)
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
N(3)-methylpseudouridine 5-monophosphate
C10H15N2O9P (338.05151500000005)
N(1)-methylpseudouridine 5-monophosphate
C10H15N2O9P (338.05151500000005)
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
C15H19BrN2O2 (338.06298139999996)
(6R,7S,8R)-7-(4-bromophenyl)-4-ethyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C15H19BrN2O2 (338.06298139999996)
(6R,7R,8S)-7-(4-bromophenyl)-4-ethyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C15H19BrN2O2 (338.06298139999996)
(6S,7S,8R)-7-(4-bromophenyl)-4-ethyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C15H19BrN2O2 (338.06298139999996)
(6R,7S,8S)-7-(4-bromophenyl)-4-ethyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C15H19BrN2O2 (338.06298139999996)
(6S,7S,8S)-7-(4-bromophenyl)-4-ethyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C15H19BrN2O2 (338.06298139999996)
(6S,7R,8R)-7-(4-bromophenyl)-4-ethyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C15H19BrN2O2 (338.06298139999996)
(6R,7R,8R)-7-(4-bromophenyl)-4-ethyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C15H19BrN2O2 (338.06298139999996)
[4-[3-(2,5-Dihydroxyphenyl)-3-oxopropyl]phenyl] hydrogen sulate
C15H14O7S (338.04602140000003)
[3-(3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate
C15H14O7S (338.04602140000003)
[3-(2,5-Dihydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid
C15H14O7S (338.04602140000003)
[3-[3-(2,5-Dihydroxyphenyl)-3-oxopropyl]phenyl] hydrogen sulate
C15H14O7S (338.04602140000003)
[3-(3,4-Dihydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid
C15H14O7S (338.04602140000003)
[3-[3-(3,4-Dihydroxyphenyl)-3-oxopropyl]phenyl] hydrogen sulate
C15H14O7S (338.04602140000003)
(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)-
[1-(5-Phosphoribosyl)imidazol-4-yl]acetic acid
C10H15N2O9P (338.05151500000005)
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
C17H10N2O6 (338.05388400000004)
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
C16H15ClO6 (338.05571199999997)
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
C16H15ClO6 (338.05571199999997)
(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"}
(1r,2s)-1-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid
2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3,4-dimethyl-1,3-thiazolidine-4-carboxylic acid
4-[(2r)-3-chloro-2-hydroxy-3-methylbutoxy]-9-hydroxyfuro[3,2-g]chromen-7-one
C16H15ClO6 (338.05571199999997)
(2z)-1-(4-bromo-2,5-dihydroxyphenyl)-3,7-dimethylocta-2,6-dien-1-one
C16H19BrO3 (338.05174839999995)
(4s,8r)-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
(2s,3r,4s,5s,6r)-2-[(4,8-dihydroxynaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
12-hydroxy-7,15-dimethyl-6,17-dioxapentacyclo[13.2.2.0²,¹⁴.0³,¹¹.0⁵,⁹]nonadeca-2(14),3(11),5(9),7,12-pentaene-4,10,16-trione
5-methyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
7-chloro-6-hydroxy-2',4-dimethoxy-6'-methylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
C16H15ClO6 (338.05571199999997)
{2-[2-(carboxymethyl)-4,5,6-trihydroxypyridin-3-yl]-4,5-dioxo-1h-pyrrol-3-yl}acetic acid
5-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
4-(3-chloro-2-hydroxy-3-methylbutoxy)-9-hydroxyfuro[3,2-g]chromen-7-one
C16H15ClO6 (338.05571199999997)
1,4-dimethyl 2-hydroxy-2-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)butanedioate
2,12-dihydroxy-7-methoxy-5-phenyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),4,9,11-tetraene-3,6-dione
(4r)-4-(2h-1,3-benzodioxol-5-ylmethyl)-4-methoxy-3,10-dioxatricyclo[7.3.0.0²,⁶]dodeca-1,6,8,11-tetraen-5-one
[(4e)-5-[carboxy(phenyl)methylidene]-1,3-dioxolan-4-ylidene](phenyl)acetic acid
3,8,11-trihydroxy-3-methyl-2,4-dihydrotetraphene-1,7,12-trione
5-methyl-4-{[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}chromen-2-one
methyl 3,4,6-trihydroxy-2-methyl-5-oxo-2h,3h-thiopyrano[2,3-b]chromene-4-carboxylate
C15H14O7S (338.04602140000003)
(4ar,12br)-4a,8,12b-trihydroxy-4-methyl-1h-tetraphene-2,7,12-trione
(3r)-3,8,11-trihydroxy-3-methyl-2,4-dihydrotetraphene-1,7,12-trione
1,6,7,12-tetrahydroxy-3-methyl-5,6-dihydrotetraphene-8,11-dione
(2r,7s)-2,12-dihydroxy-7-methoxy-5-phenyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),4,9,11-tetraene-3,6-dione
(2r,4s)-2-[(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3,4-dimethyl-1,3-thiazolidine-4-carboxylic acid
5-methyl-4-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}chromen-2-one
(1r,3s,4s,5r)-1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
{4-[(1s,4s)-4-bromo-3,3-dimethylcyclohexyl]phenyl}methyl acetate
2-(3-hydroxy-5-methoxyphenyl)-3-methoxyfuro[2,3-h]chromen-4-one
3,6-dihydroxy-3,7,9-trimethoxy-1h,4h,4ah,10ah-naphtho[2,3-c]pyran-5,10-dione
(11r)-11-(6-methoxy-2h-1,3-benzodioxol-5-yl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5,7-tetraen-10-one
(11r)-11,17-dihydroxy-16-methoxy-5,7-dioxa-13λ⁵-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium
[C19H16NO5]+ (338.10284260000003)
3-(2h-1,3-benzodioxol-5-yl)-3-hydroxy-1-(4-methoxy-1-benzofuran-5-yl)prop-2-en-1-one
20-oxo-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(12),2(10),3,8,13(18),14,16-heptaen-16-yl acetate
5-methyl-4-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}chromen-2-one
3-{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
(1r,3s,4s,5s)-1,3,4-trihydroxy-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
methyl (1r,2r,6r,10r,11r,13s)-10,13-dihydroxy-2,6-dimethyl-3,9-dioxo-8,12-dioxatetracyclo[9.2.1.0¹,⁵.0⁶,¹⁰]tetradec-4-ene-13-carboxylate
6,7-dihydroxy-3-[(2-oxochromen-7-yl)oxy]chromen-2-one
n-[3-cyano-1-(3,4-dihydroxyphenyl)-3-[(3,4-dihydroxyphenyl)methylidene]prop-1-en-2-yl]carboximidic acid
4,11,12-trihydroxy-5-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),4,9,11-pentaene-3,6-dione
1-[(1r,12r)-1,16-dihydroxy-6,11,19-trioxapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-2,4,7,9,13,15,17-heptaen-7-yl]ethanone
(2e)-1-(4-bromo-2,5-dihydroxyphenyl)-3,7-dimethylocta-2,6-dien-1-one
C16H19BrO3 (338.05174839999995)
11,17-dihydroxy-16-methoxy-5,7-dioxa-13λ⁵-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium
[C19H16NO5]+ (338.10284260000003)
9-[(2r)-3-chloro-2-hydroxy-3-methylbutoxy]-4-hydroxyfuro[3,2-g]chromen-7-one
C16H15ClO6 (338.05571199999997)
11,15-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,4,9,11,14,16,18-heptaen-13-one
1,4-dimethyl (2s)-2-hydroxy-2-({[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)butanedioate
methyl (2s,3s,4r)-3,4,6-trihydroxy-2-methyl-5-oxo-2h,3h-thiopyrano[2,3-b]chromene-4-carboxylate
C15H14O7S (338.04602140000003)
(3s,4r)-3,4,8-trihydroxy-3-methyl-2,4-dihydrotetraphene-1,7,12-trione
7-bromo-2-(3-hydroxy-4-methylpent-4-en-1-yl)-2-methylchromen-6-ol
C16H19BrO3 (338.05174839999995)
(1s,3r,4r,5s)-1,3,4-trihydroxy-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
1,3,4-trihydroxy-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
(1s,3r,4r,5s)-1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
methyl (1r,2r,6r,10r,11r)-10,13-dihydroxy-2,6-dimethyl-3,9-dioxo-8,12-dioxatetracyclo[9.2.1.0¹,⁵.0⁶,¹⁰]tetradec-4-ene-13-carboxylate
(11s)-11-(6-methoxy-2h-1,3-benzodioxol-5-yl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5,7-tetraen-10-one
(1r,2s)-1-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid
3,4-dimethyl-2-{2-[(1z)-6-oxocyclohexa-2,4-dien-1-ylidene]-1,3-thiazolidin-4-yl}-1,3-thiazolidine-4-carboxylic acid
(2s,6'r)-7-chloro-6-hydroxy-2',4-dimethoxy-6'-methylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
C16H15ClO6 (338.05571199999997)
2,3-dihydroxy-1-(2,4,6-trihydroxyphenyl)-3-(3,4,5-trihydroxyphenyl)propan-1-one
(1s,2r,3s,4ar,9as)-1,2,3,8,9a-pentahydroxy-6-methoxy-3-methyl-1,2,4,4a-tetrahydroanthracene-9,10-dione
4-chloro-2-(2-hydroxy-4-methoxy-6-methylbenzoyl)-5-methoxybenzene-1,3-diol
C16H15ClO6 (338.05571199999997)
3-(2-hydroxy-12-oxo-3,4-dihydro-10-oxa-1,5-diazatetraphen-6-yl)propanoic acid
1-(4-bromo-2,5-dihydroxyphenyl)-3,7-dimethylocta-2,6-dien-1-one
C16H19BrO3 (338.05174839999995)
(2z)-3-(2h-1,3-benzodioxol-5-yl)-3-hydroxy-1-(4-methoxy-1-benzofuran-5-yl)prop-2-en-1-one
5-(4-hydroxyphenyl)-6-methoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-3,11,12-triol
(2r,3r,4s,5s,6r)-2-[(4,8-dihydroxynaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r)-7-bromo-2-[(3r)-3-hydroxy-4-methylpent-4-en-1-yl]-2-methylchromen-6-ol
C16H19BrO3 (338.05174839999995)
(2r,3r)-2,3-dihydroxy-1-(2,4,6-trihydroxyphenyl)-3-(3,4,5-trihydroxyphenyl)propan-1-one
(1r,3s,4s,5s)-1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
1-[(1s,12s)-1,16-dihydroxy-6,11,19-trioxapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-2,4,7,9,13,15,17-heptaen-7-yl]ethanone
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
5-bromo-2-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-4-methoxyphenol
(2s,4s)-2-[(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3,4-dimethyl-1,3-thiazolidine-4-carboxylic acid
1-{1,16-dihydroxy-6,11,19-trioxapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-2,4,7,9,13,15,17-heptaen-7-yl}ethanone
5-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
(2r,3r)-2,3,8-trihydroxy-3-methyl-2,4-dihydrotetraphene-1,7,12-trione
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
(1s,9s,10s,12s,13r,14s)-4,9,12,13,14-pentahydroxy-6-methoxy-12-methyl-15-oxatetracyclo[8.4.1.0¹,¹⁰.0³,⁸]pentadeca-3,5,7-trien-2-one
2-hydroxy-3,6-bis(4-hydroxyphenyl)-5-methoxycyclohexa-2,5-diene-1,4-dione
9-(3,4-dihydroxyphenyl)-7-hydroxy-6-methoxy-3h-naphtho[2,3-c]furan-1-one
(2s)-3,4-dimethyl-2-{2-[(1e)-6-oxocyclohexa-2,4-dien-1-ylidene]-1,3-thiazolidin-4-yl}-1,3-thiazolidine-4-carboxylic acid
1,4-dimethyl (2r)-2-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butanedioate
1,3,5-trihydroxy-4-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione
(3r,4as,10as)-3,6-dihydroxy-3,7,9-trimethoxy-1h,4h,4ah,10ah-naphtho[2,3-c]pyran-5,10-dione
[4-(4-bromo-3,3-dimethylcyclohexyl)phenyl]methyl acetate
(6z)-3-benzyl-3-(methylsulfanyl)-6-(phenylmethylidene)pyrazine-2,5-diol
C19H18N2O2S (338.10889280000004)