Exact Mass: 368.0706
Exact Mass Matches: 368.0706
Found 500 metabolites which its exact mass value is equals to given mass value 368.0706,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-Feruloylquinic acid
3-Feruloylquinic acid (3-FQA) (CAS: 1899-29-2) belongs to the class of organic compounds known as quinic acids and derivatives. Quinic acids and derivatives 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. Coffee, especially green or raw coffee, is a major source of chlorogenic acids (CGA). CGAs have been associated with a range of health benefits including a reduction in the risk of cardiovascular disease, diabetes type 2, and Alzheimers disease. Major CGAs in coffee include 3-, 4-, and 5-feruloylquinic acids (PMID: 19022950). 3-FQA has been detected in the plasma and urine of humans who have ingested coffee (PMID: 19460943). 3-FQA is also found in chicory, tomatoes (Lycopersicon esculentum), and sunflowers (Helianthus annuus). 3-O-feruloyl-D-quinic acid is a quinic acid that is the 3-O-feruloyl derivative of D-quinic acid. It has a role as a plant metabolite. It is a quinic acid and an enoate ester. It is functionally related to a (-)-quinic acid and a ferulic acid. 3-O-Feruloylquinic acid is a natural product found in Astragalus onobrychis, Astragalus arguricus, and other organisms with data available. 5-feruloylquinic acid, also known as O-feruloylquinate, 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-feruloylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 5-feruloylquinic acid can be found in a number of food items such as sweet cherry, apricot, redcurrant, and peach (variety), which makes 5-feruloylquinic acid a potential biomarker for the consumption of these food products. . 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]alanine
Spiro[benzofuran-2(3H),1-[2]cyclohexene]-7-chloro-4,6-dimethoxy-6-methyl-2-(methylthio)-3,4-dione
12-Deoxynogalonic acid
A member of the class of anthraquinones that is 10-oxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetic acid bearing two additional hydroxy substituents at positions 4 and 5. An intermediate in the biosynthesis of nogalamycin.
Pyritinol
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
Velloquercetin
An extended flavonoid that consists of quercetin substituted by a 2-isopropenyldihydrofuran ring across positions 6 and 7.
5-Feruloylquinic acid
5-Feruloylquinic acid (5-FQA) (CAS: 40242-06-6) belongs to the class of organic compounds known as quinic acids and derivatives. Quinic acids and derivatives 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. Coffee, especially green or raw coffee, is a major source of chlorogenic acids (CGA). CGAs have been associated with a range of health benefits including a reduction in the risk of cardiovascular disease, diabetes type 2, and Alzheimers disease. Major CGAs in coffee include 3-, 4-, and 5-feruloylquinic acids (PMID: 19022950). 5-FQA has been detected in the plasma and urine of humans who have ingested coffee (PMID: 19460943). 3-feruloylquinic 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. 3-feruloylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3-feruloylquinic acid can be found in a number of food items such as carrot, peach (variety), apricot, and pear, which makes 3-feruloylquinic acid a potential biomarker for the consumption of these food products. . 3-Feruloylquinic acid is a quinic acid. 3-Feruloylquinic acid is a natural product found in Astragalus onobrychis, Coffea, and other organisms with data available. 5-Feruloylquinic acid (5-FQA) possesses antioxidative effects and tyrosinase inhibitory activities[1]. 5-Feruloylquinic acid (5-FQA) possesses antioxidative effects and tyrosinase inhibitory activities[1].
Ketazolam
Ketazolam is only found in individuals that have used or taken this drug. It is a drug which is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. Ketazolam is not approved for sale in the United States or Canada. Benzodiazepines share a similar chemical structure and their effects in humans are mainly produced by the allosteric modification of a specific kind of neurotransmitter receptor, the GABAA receptor, which increases the conductance of this inhibitory channel; this results in the various therapeutic effects as well as adverse effects of benzodiazepines. Binding of benzodiazepines to this receptor complex promotes binding of GABA, which in turn increases the conduction of chloride ions across the neuronal cell membrane. This increased conductance raises the membrane potential of the neuron resulting in inhibition of neuronal firing. In addition, different GABAA receptor subtypes have varying distributions within different regions of the brain and therefore control distinct neuronal circuits. Hence, activation of different GABAA receptor subtypes by benzodiazepines may result in distinct pharmacological actions. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
3-O-Caffeoyl-4-O-methylquinic acid
3-O-Caffeoyl-4-O-methylquinic acid is found in green vegetables. It is a constituent of Phyllostachys edulis (moso bamboo). Constituent of Phyllostachys edulis (moso bamboo). 3-O-Caffeoyl-4-O-methylquinic acid is found in green vegetables. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
3-O-Caffeoyl-1-O-methylquinic acid
3-O-Caffeoyl-1-O-methylquinic acid is found in green vegetables. It is a constituent of Phyllostachys edulis (moso bamboo). Constituent of Phyllostachys edulis (moso bamboo). 3-O-Caffeoyl-1-O-methylquinic acid is found in green vegetables.
12alpha-Hydroxyerosone
12alpha-Hydroxyerosone is found in jicama. 12alpha-Hydroxyerosone is a constituent of Pachyrrhizus erosus (yam bean). Constituent of Pachyrrhizus erosus (yam bean). 12alpha-Hydroxyerosone is found in jicama and pulses.
3'-O-Methyl-(-)-epicatechin-7-O-sulphate
3-O-Methyl-(-)-epicatechin-7-O-sulphate is an urinary and gut-derived metabolite of epicatechin.
4-Feruloylquinic acid
4-Feruloylquinic acid (4-FQA) (CAS: 2613-86-7) belongs to the class of organic compounds known as quinic acids and derivatives. Quinic acids and derivatives 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. Coffee, especially green or raw coffee, is a major source of chlorogenic acids (CGA). CGAs have been associated with a range of health benefits including a reduction in the risk of cardiovascular disease, diabetes type 2, and Alzheimers disease. Major CGAs in coffee include 3-, 4-, and 5-feruloylquinic acids (PMID: 19022950). 4-FQA has been detected in the plasma and urine of humans who have ingested coffee (PMID: 19460943). 4-feruloylquinic acid, also known as O-feruloylquinate, 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-feruloylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 4-feruloylquinic acid can be found in a number of food items such as european plum, peach (variety), jostaberry, and apricot, which makes 4-feruloylquinic acid a potential biomarker for the consumption of these food products.
5-(3'-Hydroxyphenyl)-γ-valerolactone 3'-glucuronide
5-(4’-hydroxyphenyl)-γ-valerolactone 4'-glucuronide
3-Hydroxyhalazepam
Diacerein
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78281 - Agent Affecting Musculoskeletal System D000893 - Anti-Inflammatory Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Diacerein (Diacerhein), a interleukin-1 beta inhibitor, is a slow-acting medicine of the class anthraquinone used to treat joint diseases. Diacerein (Diacerhein), a interleukin-1 beta inhibitor, is a slow-acting medicine of the class anthraquinone used to treat joint diseases.
Phenoxomethylpenicilloyl
Pyrithioxin
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
Feruloylquinic acid
Feruloylquinic acid is also known as feruloylquinate. Feruloylquinic acid is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Feruloylquinic acid can be found in barley and corn, which makes feruloylquinic acid a potential biomarker for the consumption of these food products.
Diacerein
4,5-diacetyloxy-9,10-dioxo-2-anthracenecarboxylic acid is an anthraquinone. Diacerein is a prodrug which is metabolized to rhein. It is currently approved in France for the treatment of osteoarthritis although the use of diacerein is restricted due to the side effects including severe diarrhea. Diacerein is under investigation for the treatment of Insulin Resistance, Diabetes Mellitus (Type 2), and Diabetes-Related Complications. M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78281 - Agent Affecting Musculoskeletal System D000893 - Anti-Inflammatory Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Diacerein (Diacerhein), a interleukin-1 beta inhibitor, is a slow-acting medicine of the class anthraquinone used to treat joint diseases. Diacerein (Diacerhein), a interleukin-1 beta inhibitor, is a slow-acting medicine of the class anthraquinone used to treat joint diseases.
E6GC3KV7JK
3-O-caffeoylquinic acid methyl ester is a quinic acid. Methyl chlorogenate is a natural product found in Centaurea bracteata, Lonicera japonica, and other organisms with data available. See also: Manilkara zapota fruit (part of). 3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata[1]. 3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata[1].
4,5-dihydro-6,8,10-trihydroxy-2-methyl-2,5-ethanoanthra[2,3-d]-1,3-dioxepin-7,12-dione
Candidusin B 2,2-Epoxy-3,6-dimethoxy-1,1,4,1-terphenyl-3,4,4,5-tetrol
Artoindonesianin P
An extended flavonoid that is 5a,6-dihydro-5H,7H-[1]benzofuro[3,4-bc]xanthen-7-one substituted by hydroxy groups at positions 1, 3, 8 and 10 and geminal methyl groups at position 5. It is isolated from the tree barks of Artocarpus lanceifolius and exhibits cytotoxicity against human murine leukemia cells.
3,4-Methylenedioxy-2-hydroxy-3,6-dimethoxy-[2,3:4,5]-furanochalcone
Cyclochampedol
3-Caffeoylquinic acid methyl ester
3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata[1]. 3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata[1].
UCT 1O72M3
12-Hydroxyerosone
O1-{[5-(3-Thienyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(trifluoromethyl)benzene-1-carbohydroximamide
2,2-(1,4-Phenylene)bis(4H-benzo[d][1,3]oxazin-4-one)
[4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
2-(4-Hydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-9,10-dihydro-4H,8H-benzo[1,2-b:3,4-b]dipyran-4,10-dione
C1=C2C(=O)C3=CC(OC)=CC(OC)=C3C(=O)C2=C(O)C2=C1OC1OCCC12
5,7-dihydroxy-3-ethylchromone-7-O-beta-D-glucoside|takanechromone B
6-Methoxy-7-O-??-D-(4-methoxy) glucopyranosyl coumarin
4,5-di-O-acetylprunetin|5,4-diacetoxy-7-methoxyisoflavone|5-Acetoxy-3-(4-acetoxy-phenyl)-7-methoxy-chromen-4-on|5-acetoxy-3-(4-acetoxy-phenyl)-7-methoxy-chromen-4-one|prunetin diacetate
4,4-dimethoxypulvinic acid|4,4-dimethoxyvulpinic acid
2-hydroxy-3-O-trans-feruloyl-1,2-propanedicarboxylic acid dimethyl ester
3,7-di-O-acetylcalycosin|3,7-Diacetoxy-4-methoxyisoflavon|3-Hydroxy-formomonetin-diacetat|7,3-Diacetoxy-4-methoxy-isoflavon|7-acetoxy-3-(3-acetoxy-4-methoxy-phenyl)-chromen-4-one
3-Acetoxy-4-methoxy-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-6-one
(+)-aptosimon|(-)-Aptosimon|(1S,2R,5R,6R)-(-)-aptosimon|Genkdaphin
9-(3,4-dihydroxy-5-methoxy-phenyl)-7-hydroxy-6-methoxy-3H-naphtho[2,3-c]furan-1-one|Plicatinaphthalin|Plicatinaphthalin, 6-Hydroxy-2-(hydroxymethyl)-7-methoxy-4-(3,4-dihydroxy-5-methoxy-phenyl)-3-naphthalincarbonsaeurelacton
feruloylquinic acid
4-Feruloylquinic acid may be a potential biomarker for food products[1].
2-(2,4-Dihydroxyphenyl)-3,5-dihydroxy-8,8-dimethyl-8H-benzo[1,2-b:3,4-b]dipyran-4-one
(6S)-7-chloro-6-hydroxy-2,4,6-trimethoxy-6-methyl-3H-spiro[benzofuran-2,1-cyclohex[2]ene]-3,4-dione
9-O-[6-O-acetyl-beta-D-glucopyranosyl]-4-hydroxycinnamic acid
(3R,4aR,13bS)-rel-(+)-1,2,3,4,4a,13b-Hexahydro-3,9,11,13-tetrahydroxy-anthra[2,3-b]benzofuran-7,12-dione
5,7-dihydroxychromone-7-O-beta-D-glucuronide methyl ester|7-(methyl glucuronide)-5-hydroxychromone
2-O-caffeoylisocitric acid 6-methyl ester|E-2-(3-(3,4-dihydroxyphenyl)prop-2-enoyloxy)-3-(methoxycarbonyl)pentanedioic acid
4-O-beta-D-Glucopyranoside-6-(2,4-Dihydroxyphenyl)-5,6-dihydro-2H-pyran-2-one
(3E)-4-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylene)dihydro-4-hydroxyfuran-2(3H)-one
10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-, monoacetate (ester)
8-beta-D-glucopyranosyloxy-4-methoxy-5-methylcoumarin
3-(1,3-benzodioxol-5-yl)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)prop-2-en-1-one
Spiro[benzofuran-2(3H),1-[2]cyclohexene]-3,4-dione, 7-chloro-5-hydroxy-2,4,6-trimethoxy-6-methyl-, [1S-(1.alpha.,5.beta.,6.beta.)]-
O-Feruloylquinate
4-O-feruloylquinic acid is an organic molecular entity. 4-O-feruloyl-D-quinic acid is a natural product found in Coptis japonica and Coffea canephora with data available. 4-Feruloylquinic acid may be a potential biomarker for food products[1].
Diclofenac Diethylamine
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
5-O-Caffeoylquinic acid methyl ester
3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata[1]. 3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata[1].
3-hydroxy-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-methoxycarbonylpentanedioic acid
methyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
[4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
1,3,5-trihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
3-Feruloylquinic acids
3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
3-O-Feruloylquinic acid
3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
4-Feruloylquinic acid
4-Feruloylquinic acid may be a potential biomarker for food products[1].
5-O-Feruloylquinic acid
5-Feruloylquinic acid (5-FQA) possesses antioxidative effects and tyrosinase inhibitory activities[1]. 5-Feruloylquinic acid (5-FQA) possesses antioxidative effects and tyrosinase inhibitory activities[1].
3-Feruloylquinic acid
3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
C17H20O9_(1R,3R,4S,5R)-1,3,4-Trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid
C17H20O9_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)
C17H20O9_Cyclohexanecarboxylic acid, 1,3,5-trihydroxy-4-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1alpha,3alpha,4alpha,5beta)
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
Feruloyl quinic acid (isomer of 887, 888)
Annotation level-3
Feruloyl quinic acid (isomer of 886, 888)
Annotation level-2
Feruloyl quinic acid (isomer of 886, 887)
Annotation level-3
[4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based: Match]
[4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000847875]
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid_major
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid_21.8\\%
Cys Cys Gly Ser
Cys Cys Ser Gly
Cys Gly Cys Ser
Cys Gly Ser Cys
Cys Ser Cys Gly
Cys Ser Gly Cys
Gly Cys Cys Ser
Gly Cys Ser Cys
Gly Ser Cys Cys
Ser Cys Cys Gly
Ser Cys Gly Cys
Ser Gly Cys Cys
3-Ferulylquinic acid
Anseren
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
3-O-Caffeoyl-1-O-methylquinic acid
3-O-Caffeoyl-4-O-methylquinic acid
1,3,5-Trihydroxy-4-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid
4-acetoxy-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxyphenyl)acrylate
2-Deoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-3-C-(methoxycarbonyl)pentaric acid
tert-Butyl 4-(4-bromo-2-formylphenyl)piperazine-1-carboxylate
(3S)-1-Iodo-3-(tert-butyldimethylsilyloxy)-1-octene
4-(3-BROMO-BENZOYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
6-chloro-1-(4-methoxybenzyl)-4-(trifluoromethyl)quinazolin-2(1H)-one
1-BOC-3-[(2-BROMOBENZYL-AMINO)-METHYL]-PYRROLIDINE
1-BOC-3-[(3-BROMOBENZYL-AMINO)-METHYL]-PYRROLIDINE
1-BOC-3-[(4-BROMOBENZYL-AMINO)-METHYL]-PYRROLIDINE
1-BOC-3-([2-(4-BROMO-PHENYL)-ETHYLAMINO]-METHYL)-AZETIDINE
1-BOC-3-[2-(3-BROMO-PHENYL)-ETHYLAMINO]-PYRROLIDINE
1-BOC-3-[2-(4-BROMO-PHENYL)-ETHYLAMINO]-PYRROLIDINE
10-(4-chlorophenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione
Adenosine 5′-monophosphoramidate sodium
Adenosine 5′-monophosphoramidate sodium is an adenosine derivative and can be used as an intermediate for nucleotide synthesis. Adenosine 5′-monophosphoramidate has a significant effect on the accumulation of cyclic AMP[1]. Adenosine 5′-monophosphoramidate sodium is an adenosine derivative and can be used as an intermediate for nucleotide synthesis. Adenosine 5′-monophosphoramidate has a significant effect on the accumulation of cyclic AMP[1].
1-Methyl-2-phenyl-3-(benzothiazol-2-ylazo)-1H-indole
2-Amino-5-bromo-N-cyclohexyl-N-methylbenzylamine Dihydrochloride
4-(4-BROMO-BENZOYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
n,n-difluoro-2,2-bipyridinium bis(tetrafluoroborate)
Benzenesulfonamide,N,N-1,2-ethanediylbis[4-methyl-
4-(3-CHLORO-4-FLUOROPHENYL)-1,2-DIMETHYL-5-(QUINOXALIN-6-YL)-1H-PYRAZOL-3(2H)-ONE
carbanide,hafnium(4+),5-methylcyclopenta-1,3-diene
N-[6-(1H-indol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide
N-[6-(1H-indol-5-yl)naphthalen-2-yl]thiophene-3-carboxamide
N-[6-(1H-indol-6-yl)naphthalen-2-yl]thiophene-3-carboxamide
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide
4-(1,3-benzodioxol-5-yl)-5-(3-ethyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylic acid
2,3-Diphenyl-5-(4-chlorophenyl)tetrazolium Chloride
4-Aminomethyl-4-(4-bromo-phenyl)-piperidine-1-carboxylic acid tert-butyl ester
benzene-1,3-dicarboxylic acid,2,2-dimethylpropane-1,3-diol,furan-2,5-dione
ETHYL 2-(2-([(4-CHLOROPHENYL)SULFONYL]METHYL)PHENOXY)ACETATE
1-Sulfobutyl-3-MethyliMidazoliuM trifluoroMethansulfonate
Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione
2-Quinolinecarboxylic acid, 7-chloro-1,2,3,4-tetrahydro-4-(2-oxo-1-phenyl-3-pyrrolidinylidene)-, (2R,4E)-
3-(4-propan-2-ylphenyl)sulfonyl-1H-triazolo[1,5-a]quinazolin-5-one
3-(4-methoxyphenyl)-4-oxo-4H-chromene-5,7-diyl diacetate
4-Fluorobenzoic acid 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester
methyl 2-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl}acetate
1-(2,6-Dichlorobenzyl)-5-(4-methylphenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
1-allyl-N-(4-chlorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-one
N-(1,3-benzodioxol-5-yl)-3-[(2-methoxy-1-oxoethyl)amino]-2-benzofurancarboxamide
(2R,4S)-5,5-dimethyl-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid
2-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
Spiro[benzofuran-2(3H),1-[2]cyclohexene]-3,4-dione, 7-chloro-4,6-dimethoxy-6-methyl-2-(methylthio)-
4-(1,3-Benzodioxol-5-YL)-5-(5-ethyl-2,4-dihydroxyphenyl)-2H-pyrazole-3-carboxylic acid
N-Hydroxy-5-[(3-Phenyl-5,6-Dihydroimidazo[1,2-A]pyrazin-7(8h)-Yl)carbonyl]thiophene-2-Carboxamide
hydroxy(oxo)(2-{(1S)-2,2,2-trifluoro-1-[2-(trimethylarsonio)ethoxy]ethyl}phenyl)ammonium
2-(beta-D-glucopyranosyluronate)-D-glucuronate(2-)
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-hydroxy-2-(1H-indol-3-yl)ethanimidothioate
5-(4-Hydroxyphenyl)-gamma-valerolactone 4-glucuronide
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl] 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate
(-)-6-((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-yloxy)-8-hydroxy-3-methyl-1H-isochromen-1-one
A natural product found in Conoideocrella tenuis.
4-(2-chlorophenyl)-3-(5-methyl-3-phenyl-4-isoxazolyl)-1H-1,2,4-triazole-5-thione
1-[3-[4-[(1-Methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone
5-[[(5-Ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester
N-[(E)-1-(2,4-dichlorophenyl)methylidene]-N-phenyl-2-pyridinecarbohydrazonamide
(6E)-6-{[5-(benzylthio)-2-furyl]methylene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
2-[[(5-Anilino-1,3,4-thiadiazol-2-yl)thio]methyl]isoindole-1,3-dione
5-ethyl-4-oxo-N-(thiophen-2-ylmethyl)-2-thieno[3,2-c]quinolinecarboxamide
1-(4-Chlorophenyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]ethanone
N-(benzenesulfonyl)-N-(4-methoxyphenyl)-3-pyridinecarboxamide
3-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-5-methyl-7-triazolo[4,5-d]pyrimidinamine
8-allyl-9-(propylthio)-5,8-dihydronaphtho[2,1:4,5]thieno[2,3-d]pyrimidin-7(6H)-one
4-O-alpha-D-galactopyranuronosyl-D-galactopyranuronate
1-Tert-butyl-5-[(2,4-dichloro-5-fluorophenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone
1-[2-[4-[(1-Methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone
2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-7-(trifluoromethyl)-3H-quinazolin-4-one
1,3,5-trihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
2-(3-Nitrophenyl)-4,5-dioxo-1-phenyl-3-pyrrolidinecarboxylic acid ethyl ester
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
[3,4,5-Trihydroxy-6-(2,4,6-trihydroxyphenyl)oxan-2-yl]methyl hydrogen sulate
2-butan-2-yl-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxybutanedioic acid
Methyl (1S,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
[2-[(E)-3-(1-Benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] benzoate
3,4,5-Trihydroxy-6-[3-(hydroxymethyl)-1-oxoisochromen-7-yl]oxyoxane-2-carboxylic acid
[3,5,6-trihydroxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl] hydrogen sulfite
5-O-(E)-FeruloylquinicAcid
3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
(E)-3-(3,4-Dihydroxyphenyl)acrylic acid (1R,2R,3R)-2,3,5-trihydroxy-5-(methoxycarbonyl)cyclohexyl ester
(1S,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
3-hydroxy-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-methoxycarbonylpentanedioic acid
(5R,6R)-1,5,6-trihydroxy-3-(hydroxymethyl)-8-methoxy-5,6-dihydrobenzo[a]anthracene-7,12-dione
(1S,5S)-averufin
An organic heteropentacyclic compound that is 3,4,5,6-tetrahydro-2H-2,6-epoxyanthra[2,3-b]oxocine-8,13-dione substituted at position 2 by a methyl group and at positions 7, 9 and 11 by hydroxy groups (the S,S-diastereomer)
alpha-D-GalpA-(1->4)-alpha-D-GalpA(2-)
An alpha-D-GalpA-(1->4)-D-GalpA(2-) in which both galacturonate units have alpha-D configuration.
Norsolorinate(2-)
An organic anion obtained by selective deprotonation of the 2- and 7-hydroxy groups of norsolorinic acid.
5-(3-hydroxyphenyl)-gamma-valerolactone-3-O-beta-D-glucuronide
A butan-4-olide that is 5-(3-hydroxyphenyl)-gamma-valerolactone in which the phenolic hydrogen has been replaced by a beta-D-glucuronyl residue
versicolorone tetracyclic form
The tetracyclic anthrafuran form of versicolorone.
3-O-feruloyl-D-quinic acid
A quinic acid that is the 3-O-feruloyl derivative of D-quinic acid.
SLC26A3-IN-2
SLC26A3-IN-2 is an orally active inhibitor of anion exchanger protein SLC26A3 (IC50=360 nM). SLC26A3 belongs to solute carrier (SLC) proteins, and the SLC26 family. SLC26 family has broad anion specificity for chloride, bicarbonate, sulfate and oxalate. SLC26A3 down-regulates in adenoma, DRA, involves in in intestinal absorption of chloride and oxalate. The loss of SLC26A3 function mutations is associated with chloride-losing diarrhea[1].
2-hydroxy-11-(2-methylprop-1-en-1-yl)-10-oxapentacyclo[10.8.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1,3(8),4,6,9(21),11,14,16,18-nonaene-13,20-dione
(1s,13s)-10-hydroxy-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,5,8,10,14(19),15,17-heptaen-12-one
methyl (1s,4s,8r,10s,11e,14s)-11-[(4-hydroxyphenyl)methylidene]-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate
methyl (1r,3s,4s,5s)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylate
[(3as,4r,9r,10as)-5,10,10-trihydroxy-4-(hydroxymethyl)-2,6-diimino-hexahydropyrrolo[1,2-c]purin-9-yl]oxidanesulfonic acid
1-hydroxy-3-(4-hydroxyphenyl)-4-methoxy-6-(4-methoxyphenyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
(1r,13r)-13-hydroxy-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,5,8,10,14(19),15,17-heptaen-12-one
1,4-dimethyl (2s)-2-hydroxy-2-({[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)butanedioate
6-{[2-(2,4-dihydroxy-6-methylbenzoyl)-3-hydroxyphenyl]methyl}-4-hydroxypyran-2-one
(17s)-7,20-dihydroxy-17-(2-hydroxypropan-2-yl)-10,12,16-trioxapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-1(20),3(11),4(9),5,7,13,15(19)-heptaen-2-one
3,11,21,22-tetraoxaheptacyclo[10.9.1.1¹,⁶.1¹²,¹⁶.0²,⁴.0¹⁰,²⁴.0²⁰,²³]tetracosa-6(24),7,9,16(23),17,19-hexaene-5,7,15-triol
(1r,2s,6br,12bs)-1,2,4,6b,10-pentahydroxy-2,7,8,12b-tetrahydro-1h-perylene-3,9-dione
1,3,7,8-tetrahydroxy-11-(2-methylprop-1-en-1-yl)-11h-5,10-dioxatetraphen-12-one
(8e)-14-chloro-5,11,13-trihydroxy-4,5,9-trimethyl-1,4,6,7-tetrahydro-3-benzoxacyclododecine-2,10-dione
6-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5,6-dihydropyran-2-one
3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-1-methoxycyclohexane-1-carboxylic acid
(5r,6r)-1,5,6-trihydroxy-3-(hydroxymethyl)-8-methoxy-5,6-dihydrotetraphene-7,12-dione
methyl (1s,3r,4s,5r)-4-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylate
(4'r,5's,6's,7's)-5,5',6',7',9'-pentahydroxy-3'-oxaspiro[naphthalene-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(12'),8',10'-trien-4-one
7,8-dimethoxy-3,4-dihydro-3',10'-dioxaspiro[1,5-benzodioxepine-2,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8',11'-tetraen-5'-one
(3r,5r)-1,3,5-trihydroxy-4-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
1,3,5-trihydroxy-4-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
methyl (3r,4r,5r)-3-{[(2z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylate
methyl 1-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxycyclohexane-1-carboxylate
11-(3,4-dihydroxyphenyl)-10,13-dimethoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-4,5-diol
(3r,3as,6r,6ar)-3-(2h-1,3-benzodioxol-4-yl)-6-(2h-1,3-benzodioxol-5-yl)-tetrahydro-3h-furo[3,4-c]furan-1-one
3-[4-(acetyloxy)phenyl]-7-methoxy-4-oxochromen-5-yl acetate
2,5,7-trihydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
7,9,20-trihydroxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6,8,10,14-hexaene-5,12-dione
5,9-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-9h-pyrano[2,3-h]chromene-4,10-dione
3- Ferulylquinic acid
{"Ingredient_id": "HBIN008543","Ingredient_name": "3- Ferulylquinic acid","Alias": "NA","Ingredient_formula": "C17H20O9","Ingredient_Smile": "COC1=C(C=C(C=C1)C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O","Ingredient_weight": "368.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33990","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "131751068","DrugBank_id": "NA"}
6aα,12aα-12a-hydroxyelliptone
{"Ingredient_id": "HBIN012151","Ingredient_name": "6a\u03b1,12a\u03b1-12a-hydroxyelliptone","Alias": "NA","Ingredient_formula": "C20H16O7","Ingredient_Smile": "COC1=C(C=C2C(=C1)C3(C(CO2)OC4=C(C3=O)C=CC5=C4C=CO5)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10066","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-aptosimon
{"Ingredient_id": "HBIN016532","Ingredient_name": "(?)-aptosimon","Alias": "NA","Ingredient_formula": "C20H16O7","Ingredient_Smile": "C1C2C(C(O1)C3=CC4=C(C=C3)OCO4)C(=O)OC2C5=CC6=C(C=C5)OCO6","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1537","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
