Exact Mass: 342.0625806
Exact Mass Matches: 342.0625806
Found 500 metabolites which its exact mass value is equals to given mass value 342.0625806,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Boscalid
CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4418; ORIGINAL_PRECURSOR_SCAN_NO 4415 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9095; ORIGINAL_PRECURSOR_SCAN_NO 9091 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4418; ORIGINAL_PRECURSOR_SCAN_NO 4414 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4411; ORIGINAL_PRECURSOR_SCAN_NO 4407 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9060; ORIGINAL_PRECURSOR_SCAN_NO 9056 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9052; ORIGINAL_PRECURSOR_SCAN_NO 9049 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4402; ORIGINAL_PRECURSOR_SCAN_NO 4400 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4386; ORIGINAL_PRECURSOR_SCAN_NO 4384 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9078; ORIGINAL_PRECURSOR_SCAN_NO 9077 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9072; ORIGINAL_PRECURSOR_SCAN_NO 9067 CONFIDENCE standard compound; INTERNAL_ID 1316; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4421; ORIGINAL_PRECURSOR_SCAN_NO 4418 CONFIDENCE standard compound; INTERNAL_ID 4060 CONFIDENCE standard compound; INTERNAL_ID 2326 CONFIDENCE standard compound; INTERNAL_ID 8436
Thiophanate-methyl
CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7987; ORIGINAL_PRECURSOR_SCAN_NO 7982 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7998; ORIGINAL_PRECURSOR_SCAN_NO 7997 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3833; ORIGINAL_PRECURSOR_SCAN_NO 3831 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3865; ORIGINAL_PRECURSOR_SCAN_NO 3862 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3858; ORIGINAL_PRECURSOR_SCAN_NO 3857 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7945; ORIGINAL_PRECURSOR_SCAN_NO 7943 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3838; ORIGINAL_PRECURSOR_SCAN_NO 3835 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3837; ORIGINAL_PRECURSOR_SCAN_NO 3832 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3853; ORIGINAL_PRECURSOR_SCAN_NO 3849 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8013; ORIGINAL_PRECURSOR_SCAN_NO 8011 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7980; ORIGINAL_PRECURSOR_SCAN_NO 7977 CONFIDENCE standard compound; INTERNAL_ID 805; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7934; ORIGINAL_PRECURSOR_SCAN_NO 7932 D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics CONFIDENCE standard compound; INTERNAL_ID 2620 D016573 - Agrochemicals D010575 - Pesticides
Coumachlor
C19H15ClO4 (342.06588200000004)
D006401 - Hematologic Agents > D000925 - Anticoagulants CONFIDENCE standard compound; EAWAG_UCHEM_ID 3090 D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals
Caffeic acid 3-glucoside
Caffeic acid 3-glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Caffeic acid 3-glucoside is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Caffeic acid 3-glucoside can be found in american cranberry, which makes caffeic acid 3-glucoside a potential biomarker for the consumption of this food product.
1-O-Caffeoyl-beta-D-glucose
1-o-caffeoyl-beta-d-glucose is a member of the class of compounds known as hydroxycinnamic acid glycosides. Hydroxycinnamic acid glycosides are glycosylated hydoxycinnamic acids derivatives. 1-o-caffeoyl-beta-d-glucose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 1-o-caffeoyl-beta-d-glucose can be found in a number of food items such as wild leek, garden onion, orange bell pepper, and green bell pepper, which makes 1-o-caffeoyl-beta-d-glucose a potential biomarker for the consumption of these food products.
Streptidine 6-phosphate
C8H19N6O7P (342.10527940000003)
Tetramethylscutellarein
Tetramethylscutellarein, also known as 4,5,6,7-tetramethoxyflavone or 5-methoxysalvigenin, belongs to the class of organic compounds known as 7-O-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, tetramethylscutellarein is considered to be a flavonoid lipid molecule. Tetramethylscutellarein is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, tetramethylscutellarein is found, on average, in the highest concentration within sweet oranges. Tetramethylscutellarein has also been detected, but not quantified, in herbs, spices, tea. This could make tetramethylscutellarein a potential biomarker for the consumption of these foods. Tetramethylscutellarein is isolated from Salvia officinalis (sage) leaves. Isolated from Salvia officinalis (sage) leaves. Tetramethylscutellarein is found in tea, sweet orange, and herbs and spices. Scutellarein tetramethyl ether (4',5,6,7-Tetramethoxyflavone) is a bioactive component of Siam weed extract. Scutellarein tetramethyl ether (4',5,6,7-Tetramethoxyflavone) exhibits anti-inflammatory activity through NF-κB pathway[1]. Scutellarein tetramethyl ether (4',5,6,7-Tetramethoxyflavone) modulats of bacterial agent resistance via efflux pump inhibition[2]. Scutellarein tetramethyl ether (4',5,6,7-Tetramethoxyflavone) can enhance blood coagulation[3]. Scutellarein tetramethyl ether (4',5,6,7-Tetramethoxyflavone) is a bioactive component of Siam weed extract. Scutellarein tetramethyl ether (4',5,6,7-Tetramethoxyflavone) exhibits anti-inflammatory activity through NF-κB pathway[1]. Scutellarein tetramethyl ether (4',5,6,7-Tetramethoxyflavone) modulats of bacterial agent resistance via efflux pump inhibition[2]. Scutellarein tetramethyl ether (4',5,6,7-Tetramethoxyflavone) can enhance blood coagulation[3].
5-Fluorouridine monophosphate
5-Fluorouridine monophosphate is a metabolite of fluorouracil. Fluorouracil (5-FU or f5U) (sold under the brand names Adrucil, Carac, Efudix, Efudex and Fluoroplex) is a drug that is a pyrimidine analog which is used in the treatment of cancer. It is a suicide inhibitor and works through irreversible inhibition of thymidylate synthase. It belongs to the family of drugs called antimetabolites. It is typically administered with leucovorin. (Wikipedia)
SCHEMBL12391563
(+)-Sesamin monocatechol
A catechol resulting from the hydrolysis of one of the two methylene acetal groups in (+)-sesamin. Found as a product of (+)-sesamin in rat liver homogenate and also produced from sesamin by an enzyme (SesA) found in Sinomonas species. no. 22 growing on sesamin.
triazolam
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
2-Nitrophenyl 2-acetamido-2-deoxyhexopyranoside
Triazolam
Triazolam is only found in individuals that have used or taken this drug.It is withdrawn in the United Kingdom due to risk of psychiatric adverse drug reactions. This drug continues to be available in the U.S. Internationally, triazolam is a Schedule IV drug under the Convention on Psychotropic Substances.Benzodiazepines bind nonspecifically to bezodiazepine receptors BNZ1, which mediates sleep, and BNZ2, which affects affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell. N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Etizolam
C17H15ClN4S (342.07059000000004)
According to the Italian P.I. sheet etizolam belongs to a new class of diazepines, thienotriazolodiazepines. This new class is easily oxidized, rapidly metabolized, and has a lower risk of accumulation, even after prolonged treatment. Etizolam has an anxiolytic action about 6 times greater than that of diazepam. Etizolam produces, especially at higher dosages, a reduction in time taken to fall asleep, an increase in total sleep time and a reduction in the number of awakenings. During tests there were not substantial changes in deep sleep. There is a reduction of REM sleep. In EEG tests of healthy volunteers Etizolam showed some characteristics of tricyclic antidepressants. Etizolam (marketed under the brand name Etilaam, Etizola, Sedekopan, Pasaden or Depas) is a thienodiazepine drug which is a benzodiazepine analog. The etizolam molecule differs from a benzodiazepine in that the benzene ring has been replaced by a thiophene ring. It possesses amnesic, anxiolytic, anticonvulsant, hypnotic, sedative and skeletal muscle relaxant properties. 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
Zapotin
Zapotin is found in pomes. Zapotin is a constituent of the bark of Casimiroa edulis (Mexican apple)
1-O-Caffeoylglucose
Present in many plants, e.g. Solanum, Raphanus etc. subspecies 1-O-Caffeoylglucose is found in many foods, some of which are jostaberry, redcurrant, brassicas, and strawberry. 1-O-Caffeoylglucose is found in black elderberry. 1-O-Caffeoylglucose is present in many plants, e.g. Solanum, Raphanus etc. species.
Glucocaffeic acid
Isolated from flax (Linum usitatissimum). Glucocaffeic acid is found in many foods, some of which are coffee and coffee products, redcurrant, tea, and gooseberry. Glucocaffeic acid is found in blackcurrant. Glucocaffeic acid is isolated from flax (Linum usitatissimum
1,5,8-Trihydroxy-3-methyl-2-prenylxanthone
1,5,8-Trihydroxy-3-methyl-2-prenylxanthone is found in fruits. 1,5,8-Trihydroxy-3-methyl-2-prenylxanthone is a constituent of Garcinia mangostana (mangosteen). Constituent of Garcinia mangostana (mangosteen). 1,5,8-Trihydroxy-3-methyl-2-prenylxanthone is found in fruits.
Dulxanthone A
Dulxanthone A is found in fruits. Dulxanthone A is a constituent of the stem bark of Garcinia dulcis (mundu)
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Dulxanthone D
Dulxanthone D is found in fruits. Dulxanthone D is a constituent of the stem bark of Garcinia dulcis (mundu). Constituent of the stem bark of Garcinia dulcis (mundu). Dulxanthone D is found in fruits.
(1R,2S,5R,6S)-6-(3,4-Dihydroxyphenyl)-2-(3,4-methylenedioxyphenyl)-3,7-dioxabicyclo-[3,3,0]octane
(1R,2S,5R,6S)-6-(3,4-Dihydroxyphenyl)-2-(3,4-methylenedioxyphenyl)-3,7-dioxabicyclo-[3,3,0]octane belongs to the family of Furofuran Lignans. These are lignans whose structure is based on 1,4-diphenyl-hexahydrofuro[3,4-c]furan skeleton.
3-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-8-methyl-4H-chromen-4-one
1,4,6-Trihydroxy-5-methoxy-7-prenylxanthone
1,4,6-Trihydroxy-5-methoxy-7-prenylxanthone is a constituent of the branches of Garcinia dulcis (mandu)
6-[4-(2-carboxyethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[4-(2-carboxyethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-(4-hydroxyphenyl)propanoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
3-Hydroxyphenylpropionic acid glucuronide
3-Hydroxyphenylpropionic acid glucuronide is an endogenous phenolic acid metabolite detected after the consumption of whole grain.
2-(N-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)amino)-2-deoxyglucose
D-Glucose, 6-deoxy-6-((7-nitro-4-benzofurazanyl)amino)-
(2R,3R,4S,5R)-3,4,5,6-Tetrahydroxy-2-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)hexanal
4'-Nitrophenyl-2-acetamido-2-deoxy-beta-glucopyranoside
6-Hydroxymelatonin sulfate
Benzotript
C18H15ClN2O3 (342.07711500000005)
(E)-3-[1-(Benzenesulfonyl)indol-5-yl]-N-hydroxyprop-2-enamide
C17H14N2O4S (342.06742440000005)
Ranelic acid
C12H10N2O8S (342.01578600000005)
(9R)-4,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-3-one
Tetramethoxyluteolin
Tetramethoxyluteolin, also known as 3457-tetramethoxyflavone or 3,4,5,7-tetramethyl-luteolin, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, tetramethoxyluteolin is considered to be a flavonoid lipid molecule. Tetramethoxyluteolin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Tetramethoxyluteolin can be found in mandarin orange (clementine, tangerine), which makes tetramethoxyluteolin a potential biomarker for the consumption of this food product. 5,7,3',4'-Tetramethoxyflavone, one of the major polymethoxyflavones (PMFs) isolated from M. exotica, possesses various bioactivities, including anti-fungal, anti-malarial, anti-mycobacterial, and anti-inflammatory activities. 5,7,3',4'-Tetramethoxyflavone exhibits chondroprotective activity by targeting β-catenin signaling[1]. 5,7,3',4'-Tetramethoxyflavone, one of the major polymethoxyflavones (PMFs) isolated from M. exotica, possesses various bioactivities, including anti-fungal, anti-malarial, anti-mycobacterial, and anti-inflammatory activities. 5,7,3',4'-Tetramethoxyflavone exhibits chondroprotective activity by targeting β-catenin signaling[1].
Tetramethylisoscutellarein
Tetramethylisoscutellarein, also known as 5784-tetramethoxyflavone, is a member of the class of compounds known as 8-o-methylated flavonoids. 8-o-methylated flavonoids are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. Thus, tetramethylisoscutellarein is considered to be a flavonoid lipid molecule. Tetramethylisoscutellarein is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Tetramethylisoscutellarein can be found in sweet orange, which makes tetramethylisoscutellarein a potential biomarker for the consumption of this food product. 6-Demethoxytangeretin is a citrus flavonoid isolated from Citrus reticulata. 6-Demethoxytangeretin exerts anti-inflammatory activity and anti-allergic activity, suppresses production and gene expression of interleukin-6 in human mast cell-1 via anaplastic lymphoma kinase (ALK) and mitogen-activated protein kinase (MAPK) pathways[1]. 6-Demethoxytangeretin facilitates the CRE-mediated transcription associated with learning and memory in cultured hippocampal neurons[2]. 6-Demethoxytangeretin is a citrus flavonoid isolated from Citrus reticulata. 6-Demethoxytangeretin exerts anti-inflammatory activity and anti-allergic activity, suppresses production and gene expression of interleukin-6 in human mast cell-1 via anaplastic lymphoma kinase (ALK) and mitogen-activated protein kinase (MAPK) pathways[1]. 6-Demethoxytangeretin facilitates the CRE-mediated transcription associated with learning and memory in cultured hippocampal neurons[2].
hydroxysyringaresinol
Methylophiopogonanone A
Methylophiopogonanone A is a homoflavonoid. Methylophiopogonanone A is a natural product found in Ophiopogon japonicus with data available. Methylophiopogonanone A, a major homoisoflavonoid in Ophiopogon japonicas, has both anti-oxidative and anti-inflammatory properties[1]. Methylophiopogonanone A, a major homoisoflavonoid in Ophiopogon japonicas, has both anti-oxidative and anti-inflammatory properties[1].
2U2U884D0P
6-Demethoxytangeretin is a natural product found in Juncus effusus, Neoraputia alba, and other organisms with data available. See also: Tangerine peel (part of); Citrus aurantium fruit rind (part of). 6-Demethoxytangeretin is a citrus flavonoid isolated from Citrus reticulata. 6-Demethoxytangeretin exerts anti-inflammatory activity and anti-allergic activity, suppresses production and gene expression of interleukin-6 in human mast cell-1 via anaplastic lymphoma kinase (ALK) and mitogen-activated protein kinase (MAPK) pathways[1]. 6-Demethoxytangeretin facilitates the CRE-mediated transcription associated with learning and memory in cultured hippocampal neurons[2]. 6-Demethoxytangeretin is a citrus flavonoid isolated from Citrus reticulata. 6-Demethoxytangeretin exerts anti-inflammatory activity and anti-allergic activity, suppresses production and gene expression of interleukin-6 in human mast cell-1 via anaplastic lymphoma kinase (ALK) and mitogen-activated protein kinase (MAPK) pathways[1]. 6-Demethoxytangeretin facilitates the CRE-mediated transcription associated with learning and memory in cultured hippocampal neurons[2].
Methylophiopogonanone
Methylophiopogonanone A is a homoflavonoid. Methylophiopogonanone A is a natural product found in Ophiopogon japonicus with data available. Methylophiopogonanone A, a major homoisoflavonoid in Ophiopogon japonicas, has both anti-oxidative and anti-inflammatory properties[1]. Methylophiopogonanone A, a major homoisoflavonoid in Ophiopogon japonicas, has both anti-oxidative and anti-inflammatory properties[1].
MUNDUSERONE
Vitexdoin A
Vitexdoin A is a natural product found in Vitex negundo with data available.
4,2-Epoxy-4-hydroxy-5,7,5-trimethoxy-3-phenylcoumarin
3-(2-Hydroxy-3-methylbut-3-enyl)-4,2,4-trihydroxychalcone
celebixanthone
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 3, 4 and 8, a methoxy group at position 2 and a prenyl group at position 1. Isolated from Cratoxylum celebicum and the roots of Cratoxylum cochinchinense, it exhibits cytotoxic and antimalarial activities.
1,3,5-trihydroxy-6-methoxy-7-(3-methylbut-2-enyl)xanthone
Garciniaxanthone H
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 2, 5 and 8, methoxy group at position 1 and a 2-methylbut-3-en-2-yl group at position 4. Isolated from the woods of Garcinia subelliptica, it exhibits antioxidant activity.
2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one
7,3-Dihydroxy-5,4-dimethoxy-6-formyl-4-phenylcoumarin
6-Hydroxy-7,2-dimethoxy-4,5-methylenedioxyisoflavone
Dalpatein
An methoxyisoflavone having methoxy substituents at the 6- and 2-positions, a hydroxy group at position 7 and a methylenedioxy moiety at the 4- and 5-positions.
7-xi-D-Glucopyranosyloxy-5-methoxy-phthalid|7-xi-D-glucopyranosyloxy-5-methoxy-phthalide
(2S)-beta-D-3-[[5-Deoxy-5-(demethylarsinoyl)oxy]-2-hydroxypropanoic acid
2-O-caffeoyl-D-glucopyranose|2E-caffeoyl-D-glucopyranoside
cis-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-4-(2-imidazolyl)-1,2,3-trithiane
7-hydroxy-5-methoxy-phthalide 7-O-beta-D-glucoside|7-hydroxy-5-methoxyphthalide 7-O-beta-D-glucopyranoside
1,8-dihydroxy-6-methoxy-2-methoxycarbonyl-3-methyl-9,10-anthraquinone|Cinnaluteinmethylester|Endocrocin-methylester-6-methylether
9,10-Dihydro-3,8-dihydroxy-4-methoxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid methyl ester
myo-inositol 5-caffeate|myo-inositol 5-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate]
Acetic acid [(4,5-dihydroxy-7-methoxy-9,10-dioxo-9,10-dihydroanthracen)-2-yl]methyl ester
9,10-Dihydro-3,8-dihydroxy-6-methoxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid methyl ester
5,7-Dihydroxy-8-methyl-3-[(4-hydroxy-1,3-benzodioxol-5-yl)methyl]chromone
2-[1,4-diamino-4-(4-carboxy-1,3-thiazol-2-yl)butyl]-1,3-thiazole-4-carboxylic acid
5-hydroxy-6,7-dimethoxy-3,4-methylenedioxyisoflavone
4,8-dihydroxy-3-methoxy-1-methyl-anthraquinone-2-carboxylic acid methyl ester
dimethyl-8-methoxy-9-oxo-9h-xanthene-1,6-dicarboxylate
3,4-dimethoxy-1-(7-methoxy-4-oxo-4H-chromen-3-yl)benzo-2,5-quinone
2-acetyl-5-(prop-1-ynyl)thiophen 3-O-beta-D-glucopyranoside|2-acetyl-5-(prop-1-ynyl)thiophene 3-O-beta-D-glucopyranoside
C15H18O7S (342.07731980000005)
3,8-dihydroxy-2,10-dimethoxy-[1]-benzopyrano[3,2-c][2]-benzopyran-7(5H)-one|acanilol B
(6R,7R)-1-aza-3-methyl-7-(m-carboxypentanamido)-8-oxo-5-thiabicyclo<4.2.0>oct-2-ene carboxylic acid|(6R,7R)-1-aza-3-methyl-7-(m-carboxypentanamido)-8-oxo-5-thiabicyclo[4.2.0]oct-2-ene carboxylic acid|7-aminodeacetoxycephalosporanic acid|adipyl-7-ADCA|adipyl-7-aminodesacetoxycephalosporanic acid
(8R,9S)-8-(3,4-dihydroxyphenyl)-9,10-dihydro-5,9-dihydroxy-2H,8H-pyrano[2,3-f]chromen-2-one|isophyllocoumarin
7-hydroxy-3,5-di-methoxy-3,4-methylenedioxyflavone
1,7-dimethoxy-4-hydroxy-5,6-methylenedioxy-2-methylanthraquinone
5,6-(Methylenedioxy)-1-hydroxy-2-methyl-4,7-dimethoxyanthracene-9,10-dione
3,4,4a,10b-tetrahydro-3,4,8-trihydroxy-2-hydroxymethyl-7,9-dimethoxypyrano[3,2-c][2]benzopyran-6(2H)-one
2-(4-hydroxybenzoyl)-3-[(E)-1-(4-hydroxyphenyl)methylidene]succinic acid
1,3,8-Trimethoxy-9-hydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one
1,3,6,8-tetrahydroxy-2-tetrahydrofuran-2-yl-anthraquinone|bipolarin
2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one
5,7-Dihydroxy-6-methyl-3-[(4-hydroxy-1,3-benzodioxol-5-yl)methyl]chromone
3-[5-(1,2-dihydroxy-ethyl)-3,4-dihydroxy-2-oxo-tetrahydro-furan-3-yl]-3-(4-hydroxy-phenyl)-propionic acid|Conocarpinsaeure
8-Sulfo-xanthurensaeure-N-carboxymethylamid
C12H10N2O8S (342.01578600000005)
3,5,7-trihydroxychromone 3-O-alpha-L-rhamnopyranoside
(2R,3R,4S,5R)-3,4,5,6-TETRAHYDROXY-2-((7-NITROBENZO-[C][1,2,5]OXADIAZOL-4-YL)AMINO)HEXANAL
Oxamflatin
C17H14N2O4S (342.06742440000005)
Boscalid
CONFIDENCE standard compound; EAWAG_UCHEM_ID 2938
C15H18O9_(2E)-3-[3-(beta-D-Glucopyranosyloxy)-4-hydroxyphenyl]acrylic acid
Linocaffein
etizolam
C17H15ClN4S (342.07059000000004)
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
5-(p-Toluenesulfonate)-2,3-O-isopropylidene-2-C-methyl-D-ribonic-gamma-lactone
C15H18O7S (342.07731980000005)
3-[3-(4-nitrophenoxy)-2-oxopyrrolidin-1-yl]benzoic acid
tert-Butyl (2S,6R)-6-amino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepine-4-acetate
C15H22N2O3S2 (342.10717819999996)
1-Amino-5-benzoylaminoanthraquinone
C21H14N2O3 (342.10043740000003)
4-AMINO-2-P-TOLYL-2H-9-THIA-4A-AZA-FLUORENE-1,3-DICARBONITRILE
5-[4-(Cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-1,2,5-thiadiazo lidin-3-one 1,1-dioxide
C15H19FN2O4S (342.10495060000005)
(Methoxymethyl)triphenylphosphonium chloride
C20H20ClOP (342.09402300000005)
6-(BENZYLOXY)-4-CHLORO-7-METHOXYQUINOLINE-3-CARBOXAMIDE
C18H15ClN2O3 (342.07711500000005)
4,5-Dichloro-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
C16H24Cl2N2Si (342.10857239999996)
Tilomisole
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C274 - Antineoplastic Agent
2-[2-HYDROXY-1-(HYDROXYMETHYL)-2-(4-NITROPHENYL)ETHYL]-1H-ISOINDOLE-1,3(2H)-DIONE
2-nitrophenyl-n-acetyl-beta-d-glucosaminide
Methyl2,2-difluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d][1,3]dioxole-5-carboxylate
4-Nitrophenyl 2-acetamido-2-deoxyhexopyranoside
N-[2-(3,4-dimethyl-1,3-oxazol-3-ium-2-yl)ethenyl]aniline,iodide
C13H15IN2O (342.02290899999997)
2-[(4-AMINOPHENYL)SULFANYL]-N-[4-(TRIFLUOROMETHOXY)PHENYL]ACETAMIDE
2-Nitrophenyl 2-acetamido-2-deoxy-b-D-galactopyranose
ETHYL 3-[(2-ETHOXY-2-OXOETHYL)THIO]-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
4-Nitrophenyl N-acetyl-β-D-galactosaminide
1-PIPERAZINECARBOXYLIC ACID, 4-(5-BROMOPYRAZINYL)-, 1,1-DIMETHYLETHYL ESTER
C13H19BrN4O2 (342.06912939999995)
Flutoprazepam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
2-(1,4,8,11-tetrathiacyclotetradec-6-yloxy)acetic acid
4-nitrophenyl N-acetyl-α-D-galactosaminide
tert-Butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate
C13H19BrN4O2 (342.06912939999995)
(R)-METHYL 2-((2-CHLORO-5-NITROPYRIMIDIN-4-YL)(CYCLOPENTYL)AMINO)BUTANOATE
o-Nitrophenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Difenyl[(S)-Pyrrolidine-3-Yl]Acetonitril hydrobromide
(2-HYDROXY-5-METHOXY-PHENYL)-(1-PHENYL-1H-PYRAZOL-4-YL)-METHANONE
C20H20ClOP (342.09402300000005)
1-Amino-4-benzamidoanthraquinone
C21H14N2O3 (342.10043740000003)
5,12-dihydroquinolino[2,3-b]acridine-6,7,13,14-tetrone
C20H10N2O4 (342.06405400000006)
8-amino-5-[(p-aminophenyl)azo]naphthalene-2-sulphonic acid
5-Chloro-6-methyl-3-[4-(methylsulfinyl)phenyl]-2,3-bipyridine
C18H15ClN2OS (342.05935700000003)
N-(3-((2-chloro-5-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)acrylamide
Ro 60-0175 fumarate
Ro60-0175 fumarate is a potent and selective agonist of 5-HT2C receptor[1].
R-2,2-dihydroxy-[1,1-Binaphthalene]-3,3-dicarboxaldehyde
3-(3,5-diformylphenyl)-[1,1-biphenyl]-3,5-dicarbaldehyde
3-(3,4-DICHLOROPHENYL)-1-(4-FLUOROBENZYL)-1-METHOXYUREA
C15H13Cl2FN2O2 (342.03380699999997)
N-[4-(Methylamino)benzoyl]-L-glutamic acid zinc salt
(E)-Methyl 3-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)acrylate
C17H14N2O4S (342.06742440000005)
9-Chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-3h-pyrrolo(3,2-f)quinolin-7(6h)-one
C16H14ClF3N2O (342.07466999999997)
(E)-3-[1-(Benzenesulfonyl)indol-5-yl]-N-hydroxyprop-2-enamide
C17H14N2O4S (342.06742440000005)
n-(4-Methyl-2-thiazolyl)-2-[(6-phenyl-3-pyridazinyl)thio]acetamide
4-ethoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
3,5-Dimethyl-4-[[(5-phenyl-3-thiazolo[2,3-c][1,2,4]triazolyl)thio]methyl]isoxazole
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-imidazole-2-thione
Hydroxydihydrosterigmatocystin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
N-(1,3-benzodioxol-5-ylmethyl)-8-quinolinesulfonamide
C17H14N2O4S (342.06742440000005)
3-[2-(2,4-Dichlorophenoxy)ethoxy]-6-methyl-2-nitropyridine
C14H12Cl2N2O4 (342.01740920000003)
(5E)-2-(4-hydroxyanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazol-4-one
C17H14N2O4S (342.06742440000005)
2-[(3-Fluorophenyl)-(2-pyridinylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-pyranone
4-[5-(2-Carboxy-1-formyl-ethylcarbamoyl)-pyridin-3-YL]-benzoic acid
(2Z)-N-(3-chloro-2-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide
C18H15ClN2O3 (342.07711500000005)
(4-Sulfamoyl-phenyl)-thiocarbamic acid O-(2-thiophen-3-YL-ethyl) ester
mycophenolate sodium
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C471 - Enzyme Inhibitor > C2087 - Inosine Monophosphate Dehydrogenase Inhibitor C308 - Immunotherapeutic Agent > C574 - Immunosuppressant D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
hydroxysyringaresinol
(1S,2R,3S,4S,5R,6S)-2,4-bis{[amino(iminio)methyl]amino}-3,5,6-trihydroxycyclohexyl phosphate
C8H19N6O7P (342.10527940000003)
(1R,2S,6R)-1,6,9,10-tetrahydroxy-2,5,6,7-tetrahydroanthra[3,2-b]furo[2,1-d]furan-8(1H)-one
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzenesulfonamide
N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
C18H15ClN2O3 (342.07711500000005)
N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
C21H14N2O3 (342.10043740000003)
N-Cyclohexyl-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide
C14H18N2O2S3 (342.05303680000003)
2-[[3-Cyano-4-(5-methyl-2-furanyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid methyl ester
1,3-Dimethyl-5-[[5-(phenylthio)-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione
C17H14N2O4S (342.06742440000005)
N-(5-chloro-2-pyridinyl)-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
2-[3-(3-chlorophenyl)-5-isoxazolyl]-1-hydroxy-4H-1,2,4-benzotriazin-3-one
6-(2-Chloroanilino)-4-oxo-2-pyridin-4-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile
5-Hydroxy-2-[[(4-methylphenyl)thio]methyl]-3-benzofurancarboxylic acid ethyl ester
N1-(6-bromo-4-quinazolinyl)-N4,N4-dimethylbenzene-1,4-diamine
N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-2,4-dimethylbenzamide
4-(1-Benzimidazolyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
4-methyl-N-[[(5-methyl-2,1,3-benzothiadiazol-4-yl)amino]-sulfanylidenemethyl]benzamide
2-[4-[4-(Difluoromethoxy)phenyl]-4-methyl-2,5-dioxo-1-imidazolidinyl]acetic acid ethyl ester
3-[(2-Chloro-6-fluorophenyl)methyl]-5-fluoro-1-(2-oxolanyl)pyrimidine-2,4-dione
C15H13ClF2N2O3 (342.05827220000003)
5-(4-bromophenyl)-1-methyl-N-(3-pyridinylmethyl)-2-imidazolamine
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-oxolanecarboxamide
C18H15ClN2O3 (342.07711500000005)
N-[1-oxo-1-[[4-(2-pyridinyl)-2-thiazolyl]amino]propan-2-yl]-2-furancarboxamide
2-(trifluoromethylsulfonyl)-6,11-dihydro-5H-dibenzo[1,3-e:1,2-f][7]annulen-11-ol
2-[[4-(Trifluoromethoxy)phenyl]methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
(E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
(2S,3S,4R)-1-benzylsulfonyl-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile
(2S,3S,4S)-1-benzylsulfonyl-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
(2R,3R,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile
(2R,3S,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile
(2S,3R,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile
(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile
(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile
[(3S,3aS,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] hydrogen sulfate
C15H18O7S (342.07731980000005)
3,4,5-Trihydroxy-6-[2-(4-hydroxyphenyl)propanoyloxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[2-hydroxy-6-(3-oxopropyl)phenoxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[3-(3-hydroxyphenyl)propanoyloxy]oxane-2-carboxylic acid
6-(4-Ethenyl-5-hydroxy-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
[1-(7-Methoxy-2-oxochromen-6-yl)-3-oxobutyl] hydrogen sulate
(10-Hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-]chromen-9-yl) hydrogen sulate
[5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxy-2,5-dihydrofuran-2-yl]methyl phosphate
C11H11N4O7P-2 (342.03653460000004)
(2S)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylic acid
Caffeic acid 3-glucoside
A hydroxycinnamic acid that is trans-caffeic acid in which the phenolic hydroxy group at position 3 has been converted into its beta-D-glucoside.
1-Caffeoyl-beta-D-glucose
A cinnamate ester obtained by the formal condensation of the 1-hydroxy group of beta-D-glucopyranose with the carboxy group of trans-caffeic acid.
Thiophanate-methyl
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D016573 - Agrochemicals D010575 - Pesticides
COUMACHLOR
C19H15ClO4 (342.06588200000004)
D006401 - Hematologic Agents > D000925 - Anticoagulants D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals
6-[4-(2-carboxyethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
4-nitrophenyl N-acetyl-beta-D-glucosaminide
An N-acetyl-beta-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group.
2-nitrophenyl N-acetyl-alpha-D-glucosaminide
An N-acetyl-alpha-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 2-nitrophenyl group.
2-nitrophenyl N-acetyl-beta-D-glucosaminide
An N-acetyl-beta-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 2-nitrophenyl group.
4-nitrophenyl N-acetyl-alpha-D-glucosaminide
An N-acetyl-alpha-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group.
5-fluorouridine 5-monophosphate
A pyrimidine ribonucleoside 5-monophosphate having 5-fluorouracil as the pyrimidine component.
HIF-1/2α-IN-2
HIF-1/2α-IN-2 is an inhibitor of HIF-1/2α. HIF-1/2α-IN-2 decrease HIF-1/2α levels and induces iron starvation response by targeting Iron Sulfur Cluster Assembly 2 (ISCA2)[1].
(5s,6r)-6-hydroxy-7-methylidene-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5h,6h-cyclopenta[c]pyran-1-one
3,6,8-trihydroxy-9,10-dioxo-1-propylanthracene-2-carboxylic acid
2,3,4,5,6-pentahydroxycyclohexyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
5-methoxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-2-benzofuran-1-one
(6r)-4,6,11-trihydroxy-9-methoxy-10-methyl-6h-5,7-dioxatetraphen-12-one
(2s)-3-{[(2r,3r,4s,5s)-5-[(dimethylarsoryl)methyl]-3,4-dihydroxyoxolan-2-yl]oxy}-2-hydroxypropanoic acid
2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),11,14,16,18-hexaen-20-one
2-(4-hydroxybenzoyl)-3-[(4-hydroxyphenyl)methylidene]butanedioic acid
5-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-2-benzofuran-1-one
(2e)-3-(3-hydroxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
4,6,9,11-tetrahydroxy-8,10-dimethyl-6h-5,7-dioxatetraphen-12-one
7-(4-hydroxy-3,5-dimethoxyphenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
5-chloro-3-(2,4-dihydroxyheptyl)-6,8-dihydroxyisochromen-1-one
3,9,11-trihydroxy-6-methoxy-10-methyl-6h-5,7-dioxatetraphen-12-one
1,6-dimethyl 8-methoxy-9-oxoxanthene-1,6-dicarboxylate
5-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-1-benzofuran-2-one
12,13-dimethoxy-3,5,10,17-tetraoxapentacyclo[9.6.2.0²,⁶.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-1(18),2(6),7,11,13,15(19)-hexaene-9,16-dione
5,7-dihydroxy-3-[(4-hydroxy-2h-1,3-benzodioxol-5-yl)methyl]-8-methylchromen-4-one
(1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(4,5-dihydroxy-7-methoxy-9,10-dioxoanthracen-2-yl)methyl acetate
(2s)-2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-[(4s)-4-methyl-3,5-dihydroimidazol-4-yl]propanoic acid
6-hydroxy-7-methoxy-3-(6-methoxy-2h-1,3-benzodioxol-5-yl)chromen-4-one
1-caffeoylglucose
{"Ingredient_id": "HBIN002430","Ingredient_name": "1-caffeoylglucose","Alias": "NA","Ingredient_formula": "C15H18O9","Ingredient_Smile": "C1=CC(=C(C=C1C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2906","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2'-hydroxyisoophiopogonone a
{"Ingredient_id": "HBIN005804","Ingredient_name": "2'-hydroxyisoophiopogonone a","Alias": "NA","Ingredient_formula": "C18H14O7","Ingredient_Smile": "NA","Ingredient_weight": "342.3","OB_score": "NA","CAS_id": "149155-31-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8609","PubChem_id": "NA","DrugBank_id": "NA"}
2'-hydroxyophiopogonone a
{"Ingredient_id": "HBIN005819","Ingredient_name": "2'-hydroxyophiopogonone a","Alias": "NA","Ingredient_formula": "C18H14O7","Ingredient_Smile": "NA","Ingredient_weight": "342.3","OB_score": "NA","CAS_id": "149155-30-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8605","PubChem_id": "NA","DrugBank_id": "NA"}
4',5-dimethoxy-3-hydroxy-6,7-methylenedioxy-isoflavone
{"Ingredient_id": "HBIN010027","Ingredient_name": "4',5-dimethoxy-3-hydroxy-6,7-methylenedioxy-isoflavone","Alias": "NA","Ingredient_formula": "C18H14O7","Ingredient_Smile": "COC1=C(C=C(C=C1)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6247","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,7,2'-trihydroxy-6-methyl-3-(3',4'-methylene-dioxybenzyl)chromone
{"Ingredient_id": "HBIN011169","Ingredient_name": "5,7,2'-trihydroxy-6-methyl-3-(3',4'-methylene-dioxybenzyl)chromone","Alias": "NA","Ingredient_formula": "C18H14O7","Ingredient_Smile": "CC1=C(C=C2C(=C1O)C(=O)C(=CO2)CC3=C(C4=C(C=C3)OCO4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21784","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-O-caffeoyl-D-glucopyranose
{"Ingredient_id": "HBIN012649","Ingredient_name": "6-O-caffeoyl-D-glucopyranose","Alias": "NA","Ingredient_formula": "C15H18O9","Ingredient_Smile": "C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)O)O)O)O)O)O","Ingredient_weight": "342.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36111","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10427456","DrugBank_id": "NA"}
9-o-methyl-4-hydroxyboeravinone
{"Ingredient_id": "HBIN014166","Ingredient_name": "9-o-methyl-4-hydroxyboeravinone","Alias": "NA","Ingredient_formula": "C18H14O7","Ingredient_Smile": "CC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C(OC4=C3C=CC=C4O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14490","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy-4,10-dimethoxy-8-methyl-2h-anthra[1,2-d][1,3]dioxole-6,11-dione
6-hydroxy-7-methylidene-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5h,6h-cyclopenta[c]pyran-1-one
methyl 2-{3,13-diazapentacyclo[11.7.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaen-20-yl}-2-oxoacetate
C21H14N2O3 (342.10043740000003)
(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e)-3-(3,4-dihydroxyphenyl)(3-²h)prop-2-enoate
(1e,5r,6s,7r,8r)-1-(3,4-dihydroxyphenyl)-5,6,7,8,9-pentahydroxynon-1-ene-3,4-dione
3,6,11-trihydroxy-9-methoxy-10-methyl-6h-5,7-dioxatetraphen-12-one
(2r,3e)-2-[(e)-4-hydroxybenzoyl]-3-[(4-hydroxyphenyl)methylidene]butanedioic acid
[6-(hex-3-en-1-yloxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid
7-hydroxy-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-1-benzopyran-2-one
(3r)-6-{[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,8-dihydroxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
(2e)-3-(3-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
{3,6,9-trimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl}oxidanesulfonic acid
C15H18O7S (342.07731980000005)
(2s,3r)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-2h,3h,4h-pyrano[2,3-f]chromen-10-one
3-({5-[(dimethylarsoryl)methyl]-3,4-dihydroxyoxolan-2-yl}oxy)-2-hydroxypropanoic acid
7-hydroxy-6-methoxy-3-(4-methoxy-2h-1,3-benzodioxol-5-yl)chromen-4-one
3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
(2s,3r)-2,5-dihydroxy-7-methoxy-2h-9',11'-dioxaspiro[1-benzopyran-3,4'-tricyclo[6.3.0.0³,⁶]undecane]-1'(8'),2',6'-trien-4-one
(5r,6r)-3-[(1e)-2-[(1-hydroxyethylidene)amino]ethenesulfinyl]-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
9-(1-amino-2-hydroxy-3-methoxy-3-oxoprop-1-en-1-yl)-10h-phenoxazine-4-carboxylic acid
(3r)-4,6,8-trihydroxy-3-(2-hydroxyethyl)-2h,3h-anthra[2,3-b]furan-5,10-dione
4,6,8-trihydroxy-3-(2-hydroxyethyl)-2h,3h-anthra[2,3-b]furan-5,10-dione
methyl 3,8-dihydroxy-4-methoxy-1-methyl-9,10-dioxoanthracene-2-carboxylate
[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
6-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,8-dihydroxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
5-methoxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-1-benzofuran-2-one
2-(2h-1,3-benzodioxol-5-yl)-5-hydroxy-6,8-dimethoxychromen-4-one
(2r,3r)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-2h,3h,4h-pyrano[2,3-f]chromen-8-one
3,6-dihydroxy-1,2-dimethoxy-10h-5,11-dioxatetraphen-12-one
[(3s,3as,4s,9as,9br)-3,6,9-trimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl]oxidanesulfonic acid
C15H18O7S (342.07731980000005)
[(2r,3s,4s,5r)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
5,6,12-trihydroxy-4-(hydroxymethyl)-11,13-dimethoxy-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),11,13-trien-9-one
(2r)-2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-[(4s)-4-methyl-3,5-dihydroimidazol-4-yl]propanoic acid
2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-(4-methyl-3,5-dihydroimidazol-4-yl)propanoic acid
(1r,2r,3s,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
methyl 4,8-dihydroxy-9-oxo-6-(2-oxopropyl)xanthene-3-carboxylate
(2r,3r,4z)-3-(3,4-dihydroxyphenyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxooxolane-2-carboxylic acid
2-(2h-1,3-benzodioxol-5-yl)-5-hydroxy-6,7-dimethoxychromen-4-one
(4,7-dihydroxy-5-methoxy-9,10-dioxoanthracen-2-yl)methyl acetate
5,6,14-trihydroxy-4-(hydroxymethyl)-12,13-dimethoxy-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),11,13-trien-9-one
[(2r,3s,4s,5r,6s)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
14-hydroxy-3,5,13-trimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
2,3,4,5,9-pentahydroxy-2-methyl-3h,4h-benzo[b]fluorene-1,10-dione
(1e,5r,6s,7r,8r)-1-(3,4-dihydroxyphenyl)-5,6,7,8,9-pentahydroxy(1-²h)non-1-ene-3,4-dione
20-(hydroxymethyl)-3-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(12),2,4(8),9,13,15,17-heptaen-16-ol
(5,7-dihydroxy-4-methoxy-9,10-dioxoanthracen-2-yl)methyl acetate
1,6,8-trihydroxy-9,10-dioxo-3-propylanthracene-2-carboxylic acid
4,6,11-trihydroxy-9-methoxy-10-methyl-6h-5,7-dioxatetraphen-12-one
1,6-dihydroxy-2,3-dimethoxy-10h-5,11-dioxatetraphen-12-one
(2s,3r,4s,5r,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(3s)-5,7-dihydroxy-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
(20r)-20-(hydroxymethyl)-3-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(12),2,4(8),9,13,15,17-heptaen-16-ol
methyl 7,8-dihydroxy-3-methoxy-1-methyl-9,10-dioxoanthracene-2-carboxylate
4,10,15-trihydroxy-6,8,12,21-tetraoxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(13),3,5(9),10,14,16,18-heptaen-2-one
(2s,4r,5s,6s,7r)-5,6,14-trihydroxy-4-(hydroxymethyl)-12,13-dimethoxy-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),11,13-trien-9-one
5-[(3,4-dihydroxy-5-methoxyphenyl)methylidene]-4-hydroxy-3-(4-hydroxyphenyl)furan-2-one
2-hydroxy-1-(1h-indol-3-yl)-9h-carbazole-3-carboxylic acid
C21H14N2O3 (342.10043740000003)
methyl 3,8-dihydroxy-6-methoxy-1-methyl-9,10-dioxoanthracene-2-carboxylate
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate
3-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
(5r,6r)-3-[(r)-(1e)-2-[(1-hydroxyethylidene)amino]ethenesulfinyl]-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
(2e)-3-(3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
2-(2h-1,3-benzodioxol-5-yl)-5-hydroxy-3,7-dimethoxychromen-4-one
(5z)-5-[(3,4-dihydroxy-5-methoxyphenyl)methylidene]-4-hydroxy-3-(4-hydroxyphenyl)furan-2-one
methyl 4,8-dihydroxy-3-methoxy-1-methyl-9,10-dioxoanthracene-2-carboxylate
10-hydroxy-4,7-dimethoxy-8-methyl-2h-anthra[1,2-d][1,3]dioxole-6,11-dione
(2s,3r,4s,5r,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
1-[5-(prop-1-yn-1-yl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}thiophen-2-yl]ethanone
C15H18O7S (342.07731980000005)
(2r)-3-{[(2r,3r,4s,5s)-5-[(dimethylarsoryl)methyl]-3,4-dihydroxyoxolan-2-yl]oxy}-2-hydroxypropanoic acid
(6s)-3,6,11-trihydroxy-9-methoxy-10-methyl-6h-5,7-dioxatetraphen-12-one
1,8-dihydroxy-3,7-dimethoxy-10h-5,11-dioxatetraphen-12-one
[(2r,3s,4r,5r,6r)-6-[(3z)-hex-3-en-1-yloxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid
2,3-dimethoxy-5-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione
{5,8-dihydroxy-4,9-dioxonaphtho[2,3-c]furan-1-yl}methyl (2e)-2-methylbut-2-enoate
5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl (2r)-2-hydroxypropanoate
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-2h,3h,4h-pyrano[2,3-f]chromen-8-one
n-{8-[(acetyloxy)methyl]-3-oxophenoxazin-2-yl}-2-hydroxyethanimidic acid
(2s,4r,5s,6s,7r)-5,6,12-trihydroxy-4-(hydroxymethyl)-11,13-dimethoxy-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),11,13-trien-9-one
5,7-dihydroxy-3-[(4-hydroxy-2h-1,3-benzodioxol-5-yl)methyl]-6-methylchromen-4-one
(4r,8r)-2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),11,14,16,18-hexaen-20-one
(6e)-3-{2-[(1-hydroxyethylidene)amino]ethanesulfinyl}-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
(2e)-3-(4-hydroxyphenyl)-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoic acid
2,5-dihydroxy-7-methoxy-2h-9',11'-dioxaspiro[1-benzopyran-3,4'-tricyclo[6.3.0.0³,⁶]undecane]-1'(8'),2',6'-trien-4-one
methyl 2-oxo-10,21-diazapentacyclo[12.7.0.0³,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(14),3(11),4(9),5,7,12,15(20),16,18-nonaene-12-carboxylate
C21H14N2O3 (342.10043740000003)