Exact Mass: 338.062672
Exact Mass Matches: 338.062672
Found 475 metabolites which its exact mass value is equals to given mass value 338.062672,
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.
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).
Mercuron
D010575 - Pesticides > D005659 - Fungicides, Industrial > D010663 - Phenylmercury Compounds D016573 - Agrochemicals Same as: D05464
Dichlorophenyl-bis-triazolylpropanol
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.
chlorthalidone
C14H11ClN2O4S (338.01280360000004)
C - Cardiovascular system > C03 - Diuretics > C03B - Low-ceiling diuretics, excl. thiazides > C03BA - Sulfonamides, plain D045283 - Natriuretic Agents > D004232 - Diuretics > D049993 - Sodium Chloride Symporter Inhibitors C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators CONFIDENCE standard compound; EAWAG_UCHEM_ID 3134
Pyrithiamine bromide
C14H19BrN4O (338.07421439999996)
4-Methylumbelliferyl-galactopyranoside
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Chlorthalidone
C14H11ClN2O4S (338.01280360000004)
Chlorthalidone is only found in individuals that have used or taken this drug. It is a benzenesulfonamide-phthalimidine that tautomerizes to a benzophenones form. It is considered a thiazide-like diuretic. [PubChem]Chlorthalidone inhibits sodium ion transport across the renal tubular epithelium in the cortical diluting segment of the ascending limb of the loop of Henle. By increasing the delivery of sodium to the distal renal tubule, Chlorthalidone indirectly increases potassium excretion via the sodium-potassium exchange mechanism. C - Cardiovascular system > C03 - Diuretics > C03B - Low-ceiling diuretics, excl. thiazides > C03BA - Sulfonamides, plain D045283 - Natriuretic Agents > D004232 - Diuretics > D049993 - Sodium Chloride Symporter Inhibitors C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators
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
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium
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.
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.
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.
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)
Ficinin
Neotenone
alpha-N-Carbomethoxyacetyl-D-4-chlorotryptophan
C15H15ClN2O5 (338.06694500000003)
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].
5-Hydroxy-2-methoxy-3,4-methylenedioxyfurano[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
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.
Delphinidin
Transparent colorless oily liquid. Practically tasteless and odorless, even when warmed. (NTP, 1992) Delphinidin chloride is an anthocyanidin chloride that has delphinidin as the cationic counterpart. It contains a delphinidin.
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
4-(3-BROMO-PHENYL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
C14H15BrN2O3 (338.02659800000004)
Methyl 8-bromo-4-hydroxy-5-isopropoxy-2-naphthoate
C15H15BrO4 (338.01536500000003)
3-nitro-4-phenoxy-5-sulphamoylbenzoic acid
C13H10N2O7S (338.02087100000006)
2-HYDROXY-5-(4-NITRO-PHENYLSULFAMOYL)-BENZOIC ACID
C13H10N2O7S (338.02087100000006)
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)
Desmeninol calcium
Calcium 2-hydroxy-4-(methylthio)butanoate is an endogenous metabolite.
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)
3,3-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
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
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
3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
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
Lonapalene
C16H15ClO6 (338.05571199999997)
C78284 - Agent Affecting Integumentary System > C29708 - Anti-psoriatic Agent
Methyl 2-amino-4-(((2,5-dichlorophenyl)amino)carbonyl)benzoate
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
2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide
C14H11ClN2O4S (338.01280360000004)
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)
[2-[(2-Chloro-6-fluorophenyl)methylthio]-4,5-dihydroimidazol-1-yl]-(2-furanyl)methanone
(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
Phenylmercuric acetate
D010575 - Pesticides > D005659 - Fungicides, Industrial > D010663 - Phenylmercury Compounds D016573 - Agrochemicals
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.
Delphinidin chloride
Isolated from purple pea pods. Delphinidin 3-lathyroside 5-glucoside is found in pulses.
(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
(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)
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
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
6-bromo-N-[2-(dimethylamino)ethyl]-2-oxo-1-benzopyran-3-carboxamide
C14H15BrN2O3 (338.02659800000004)
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)
3-Butyl-1-hydroxy-3-methyl-1lambda5,2,3-benziodoxazol-3-ium 1-oxide
(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
Phenylmercury acetate
D010575 - Pesticides > D005659 - Fungicides, Industrial > D010663 - Phenylmercury Compounds D016573 - Agrochemicals Same as: D05464
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
2-(5-carboxy-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoic acid
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)
3-(chloromethyl)-1,8-dihydroxytetraphene-7,12-dione
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
(1r)-2-chloro-1,3,7-trihydroxy-9-methoxy-1-methylbenzo[c]chromene-4,6-dione
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)
2-chloro-1,3,7-trihydroxy-9-methoxy-1-methylbenzo[c]chromene-4,6-dione
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)