Exact Mass: 290.0492082
Exact Mass Matches: 290.0492082
Found 500 metabolites which its exact mass value is equals to given mass value 290.0492082,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Epicatechin
Epicatechin is an antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. Catechin is a tannin peculiar to green and white tea because the black tea oxidation process reduces catechins in black tea. Catechin is a powerful, water soluble polyphenol and antioxidant that is easily oxidized. Several thousand types are available in the plant world. As many as two thousand are known to have a flavon structure and are called flavonoids. Catechin is one of them. Green tea is manufactured from fresh, unfermented tea leaves; the oxidation of catechins is minimal, and hence they are able to serve as antioxidants. Researchers believe that catechin is effective because it easily sticks to proteins, blocking bacteria from adhering to cell walls and disrupting their ability to destroy them. Viruses have hooks on their surfaces and can attach to cell walls. The catechin in green tea prevents viruses from adhering and causing harm. Catechin reacts with toxins created by harmful bacteria (many of which belong to the protein family) and harmful metals such as lead, mercury, chrome, and cadmium. From its NMR espectra, there is a doubt on 2 and 3 atoms configuration. It seems to be that they are in trans position. Epicatechin, also known as (+)-cyanidanol-3 or 2,3-cis-epicatechin, is a member of the class of compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol. Thus, epicatechin is considered to be a flavonoid lipid molecule. Epicatechin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Epicatechin can be found in cashew nut, which makes epicatechin a potential biomarker for the consumption of this food product. Epicatechin can be found primarily in blood, feces, and urine, as well as throughout most human tissues. Epicatechin is a flavan-3-ol, a type of natural phenol and antioxidant. It is a plant secondary metabolite. It belongs to the group of flavan-3-ols (or simply flavanols), part of the chemical family of flavonoids . (-)-epicatechin is a catechin with (2R,3R)-configuration. It has a role as an antioxidant. It is a polyphenol and a catechin. It is an enantiomer of a (+)-epicatechin. Epicatechin has been used in trials studying the treatment of Pre-diabetes. (-)-Epicatechin is a natural product found in Visnea mocanera, Litsea rotundifolia, and other organisms with data available. An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. See also: Crofelemer (monomer of); Bilberry (part of); Cats Claw (part of) ... View More ... A catechin with (2R,3R)-configuration. [Raw Data] CB030_(-)-Epicatechin_pos_20eV_CB000016.txt [Raw Data] CB030_(-)-Epicatechin_pos_50eV_CB000016.txt [Raw Data] CB030_(-)-Epicatechin_pos_40eV_CB000016.txt [Raw Data] CB030_(-)-Epicatechin_pos_10eV_CB000016.txt [Raw Data] CB030_(-)-Epicatechin_pos_30eV_CB000016.txt [Raw Data] CB030_(-)-Epicatechin_neg_50eV_000009.txt [Raw Data] CB030_(-)-Epicatechin_neg_30eV_000009.txt [Raw Data] CB030_(-)-Epicatechin_neg_10eV_000009.txt [Raw Data] CB030_(-)-Epicatechin_neg_40eV_000009.txt [Raw Data] CB030_(-)-Epicatechin_neg_20eV_000009.txt Epicatechin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=490-46-0 (retrieved 2024-07-09) (CAS RN: 490-46-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). (-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB. (-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB. (-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB. (-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB.
Catechin
Catechin, also known as cyanidanol or catechuic acid, belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol. Catechin also belongs to the group of compounds known as flavan-3-ols (or simply flavanols), part of the chemical family of flavonoids. Catechin is one of the 4 catechin known diastereoisomers. Two of the isomers are in trans configuration and are called catechin and the other two are in cis configuration and are called epicatechin. The most common catechin isomer is the (+)-catechin. The other stereoisomer is (-)-catechin or ent-catechin. The most common epicatechin isomer is (-)-epicatechin. Catechin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Catechin is a bitter tasting compound and is associated with the bitterness in tea. Catechin is a plant secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Catechin is an antioxidant flavonoid, occurring especially in woody plants as both Catechin and (-)-Catechin (cis) forms. Outside of the human body, Catechin is found, on average, in the highest concentration in foods, such as blackcurrants (Ribes nigrum), evergreen blackberries (Rubus laciniatus), and blackberries (Rubus) and in a lower concentration in dills (Anethum graveolens), hot chocolates, and medlars (Mespilus germanica). Catechin has also been detected, but not quantified in, several different foods, such as rice (Oryza sativa), apple ciders, peanuts (Arachis hypogaea), fruit juices, and red teas. This could make catechin a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Catechin. (+)-catechin is the (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. It has a role as an antioxidant and a plant metabolite. It is an enantiomer of a (-)-catechin. An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. Cianidanol is a natural product found in Visnea mocanera, Salacia chinensis, and other organisms with data available. Catechin is a metabolite found in or produced by Saccharomyces cerevisiae. An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. See also: Gallocatechin (related); Crofelemer (monomer of); Bilberry (part of) ... View More ... Present in red wine. Widespread in plants; found in a variety of foodstuffs especies apricots, broad beans, cherries, chocolate, grapes, nectarines, red wine, rhubarb, strawberries and tea The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. Catechin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=154-23-4 (retrieved 2024-07-12) (CAS RN: 154-23-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). (±)-Catechin (rel-Cianidanol) is the racemate of Catechin. (±)-Catechin has two steric forms of (+)-Catechin and its enantiomer (-)-Catechin. (+)-Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. Anticancer, anti-obesity, antidiabetic, anticardiovascular, anti-infectious, hepatoprotective, and neuroprotective effects[1]. (±)-Catechin (rel-Cianidanol) is the racemate of Catechin. (±)-Catechin has two steric forms of (+)-Catechin and its enantiomer (-)-Catechin. (+)-Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. Anticancer, anti-obesity, antidiabetic, anticardiovascular, anti-infectious, hepatoprotective, and neuroprotective effects[1]. Catechin ((+)-Catechin) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. Catechin ((+)-Catechin) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM.
(+)-Epicatechin
(+)-epicatechin is a catechin that is flavan carrying five hydroxy substituents at positions 3, 3, 4, 5 and 7 (the 2S,3S-stereoisomer). It has a role as a cyclooxygenase 1 inhibitor and a plant metabolite. It is a catechin and a polyphenol. It is an enantiomer of a (-)-epicatechin. (+)-Epicatechin is a natural product found in Gambeya perpulchra, Pavetta owariensis, and other organisms with data available. (+)-Epicatechin or ent-Epicatechin is one of the 4 catechin diastereoisomers. ent-Epicatechin is found in many foods, some of which are tea, apple, star fruit, and common buckwheat. A catechin that is flavan carrying five hydroxy substituents at positions 3, 3, 4, 5 and 7 (the 2S,3S-stereoisomer). (+)-Epicatechin is found in apple. (+)-Epicatechin or ent-Epicatechin is one of the 4 catechin diastereoisomers. C26170 - Protective Agent > C275 - Antioxidant Acquisition and generation of the data is financially supported in part by CREST/JST.
Sedoheptulose 7-phosphate
KEIO_ID S083
Tetraethyl pyrophosphate
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Isoplumericin
[Raw Data] CBA32_Isoplumericin_pos_30eV_1-6_01_1570.txt [Raw Data] CBA32_Isoplumericin_pos_20eV_1-6_01_1569.txt [Raw Data] CBA32_Isoplumericin_pos_10eV_1-6_01_1545.txt [Raw Data] CBA32_Isoplumericin_pos_50eV_1-6_01_1572.txt [Raw Data] CBA32_Isoplumericin_pos_40eV_1-6_01_1571.txt
Isoprothiolane
Isoprothiolane is an Agricultural fungicide for rice crop
N-Malonyltryptophan
Constituent of various plants including Lycopersicon esculentum (tomato), Medicago sativa (alfalfa) and Melilotus albus (white melilot). N-Malonyltryptophan is found in many foods, some of which are herbs and spices, garden tomato, pulses, and opium poppy. N-Malonyltryptophan is found in garden tomato. N-Malonyltryptophan is a constituent of various plants including Lycopersicon esculentum (tomato), Medicago sativa (alfalfa) and Melilotus albus (white melilot).
Leucopelargonidin
Leucopelargonidin (CAS: 520-17-2) is a colourless chemical compound belonging to the family of leucoanthocyanidins. Leucoanthocyanidins are flavonoids consisting of a flavan (3,4-dihydro-2-phenyl-2H-1-benzopyran) moiety that carries two hydroxy groups at the C3- and C4-positions. Leucopelargonidin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Leucopelargonidin can be found in a number of food items such as narrowleaf cattail, pepper (C. pubescens), macadamia nut (M. tetraphylla), and abiyuch, which makes leucopelargonidin a potential biomarker for the consumption of these food products (FooDB). Leucopelargonidin can also be found in Albizia lebbeck (East Indian walnut), in the fruit of Anacardium occidentale (cashew), in the fruit of Areca catechu (Areca nut), in the fruit of Hydnocarpus wightiana (Hindi Chaulmoogra), in the rhizome of Rumex hymenosepalus (Arizona dock), in Zea Mays (corn), and in Ziziphus jujuba (Chinese date) (Wikipedia).
Luteoforol
Constituent of Zea mays (sweet corn) and Sorghum vulgare (sorghum). Luteoforol is found in cereals and cereal products, fats and oils, and corn. Luteoforol is found in cereals and cereal products. Luteoforol is a constituent of Zea mays (sweet corn) and Sorghum vulgare (sorghum).
Sedoheptulose 1-phosphate
This compound belongs to the family of Monosaccharide Phosphates. These are monosaccharides comprising a phosphated group linked tot he carbohydrate unit.
D-glycero-D-manno-Heptose 7-phosphate
D-glycero-D-manno-heptose in which the hydrogen of the primary hydroxy group is substituted by a dihydrogen phosphate group.
D-glycero-D-manno-Heptose 1-phosphate
alpha-Cotonefuran
alpha-Cotonefuran is found in fruits. alpha-Cotonefuran is a constituent of Mespilus germanica (European medlar)
2,8-Dihydroxy-3,4,7-trimethoxy-dibenzofuran
2,8-dihydroxy-3,4,7-trimethoxy-dibenzofuran is a member of the class of compounds known as dibenzofurans. Dibenzofurans are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring. 2,8-dihydroxy-3,4,7-trimethoxy-dibenzofuran is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2,8-dihydroxy-3,4,7-trimethoxy-dibenzofuran can be found in pear, which makes 2,8-dihydroxy-3,4,7-trimethoxy-dibenzofuran a potential biomarker for the consumption of this food product.
C19075
CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4903; ORIGINAL_PRECURSOR_SCAN_NO 4900 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4920; ORIGINAL_PRECURSOR_SCAN_NO 4918 DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 913; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4920; ORIGINAL_PRECURSOR_SCAN_NO 4918 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4879; ORIGINAL_PRECURSOR_SCAN_NO 4878 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4905; ORIGINAL_PRECURSOR_SCAN_NO 4901 INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4934; CONFIDENCE standard compound; ORIGINAL_PRECURSOR_SCAN_NO 4933 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4934; ORIGINAL_PRECURSOR_SCAN_NO 4933 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4927; ORIGINAL_PRECURSOR_SCAN_NO 4924 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9397; ORIGINAL_PRECURSOR_SCAN_NO 9395 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9409; ORIGINAL_PRECURSOR_SCAN_NO 9407 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9436; ORIGINAL_PRECURSOR_SCAN_NO 9434 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9463; ORIGINAL_PRECURSOR_SCAN_NO 9462 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9474; ORIGINAL_PRECURSOR_SCAN_NO 9471 CONFIDENCE standard compound; INTERNAL_ID 913; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9457; ORIGINAL_PRECURSOR_SCAN_NO 9456 CONFIDENCE standard compound; INTERNAL_ID 2612 CONFIDENCE standard compound; INTERNAL_ID 8426 CONFIDENCE standard compound; INTERNAL_ID 4046
S-(5-histidyl)cysteine sulfoxide
C9H14N4O5S (290.06848740000004)
A L-cysteine derivative that is L-cysteine sulfoxide in which the hydrogen attached to sulfur is replaced by a 5-L-histidyl group.
plumericin
[Raw Data] CBA31_Plumericin_pos_40eV_1-5_01_1567.txt [Raw Data] CBA31_Plumericin_pos_10eV_1-5_01_1548.txt [Raw Data] CBA31_Plumericin_pos_20eV_1-5_01_1565.txt [Raw Data] CBA31_Plumericin_pos_30eV_1-5_01_1566.txt [Raw Data] CBA31_Plumericin_pos_50eV_1-5_01_1568.txt
Indoleacetylaspartate
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
D-Glycero-D-mannopyranose-7-phosphate
The 1-alpha-anomer of D-glycero-D-manno-heptose 7-phosphate.
(2R,3S,4S,5S,6R)-6-((R)-1,2-dihydroxyethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen phosphate
N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine
N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine is a dipeptide. N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine is a natural product found in Allium sativum and Allium schoenoprasum with data available. N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine is found in onion-family vegetables. N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine is a constituent of garlic (Allium sativum). Constituent of garlic (Allium sativum). N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine is found in garlic, soft-necked garlic, and onion-family vegetables.
L-N-(1H-Indol-3-ylacetyl)aspartic acid
L-N-(1H-Indol-3-ylacetyl)aspartic acid is found in garden tomato (var.). L-N-(1H-Indol-3-ylacetyl)aspartic acid is a constituent of many plant species including soybean Glycine max. It is a metabolite of 1H-Indole-3-acetic acid
N-gamma-Glutamyl-S-allylcysteine
Isolated from garlic (Allium sativum)and chives (Allium schoenoprasum). N-gamma-Glutamyl-S-allylcysteine is found in many foods, some of which are chives, onion-family vegetables, soft-necked garlic, and garlic. N-gamma-Glutamyl-S-allylcysteine is found in chives. N-gamma-Glutamyl-S-allylcysteine is isolated from garlic (Allium sativum)and chives (Allium schoenoprasum
Fonsecin
Fonsecin is a mycotoxin from a mutant of Aspergillus fonsecaeus also known as Aspergillus carbonarius. Mycotoxin from a mutant of Aspergillus fonsecaeus also known as Aspergillus carbonarius.
N-gamma-Glutamyl-S-(1-propenyl)cysteine
N-gamma-Glutamyl-S-(1-propenyl)cysteine is found in onion-family vegetables. N-gamma-Glutamyl-S-(1-propenyl)cysteine is a constituent of Allium species. Constituent of Allium subspecies N-gamma-Glutamyl-S-cis-(1-propenyl)cysteine is found in soft-necked garlic and onion-family vegetables.
6-Hydroxy-alpha-pyrufuran
6-Hydroxy-alpha-pyrufuran is found in fruits. 6-Hydroxy-alpha-pyrufuran is a constituent of the sapwood of Mespilus germanica (European medlar). Constituent of the sapwood of Mespilus germanica (European medlar). 6-Hydroxy-alpha-pyrufuran is found in fruits.
2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one
2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one is found in fruits. 2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one is a constituent of Musa acuminata (dwarf banana) infected with Colletotrichum musae Constituent of Musa acuminata (dwarf banana) infected with Colletotrichum musae. 2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one is found in fruits.
2-(4-Hydroxyphenyl)naphthalic anhydride
2-(4-Hydroxyphenyl)naphthalic anhydride is found in fruits. 2-(4-Hydroxyphenyl)naphthalic anhydride is isolated from the unripe banana fruit (Musa acuminata) infected with Colletotrichum musae. Isolated from the unripe banana fruit (Musa acuminata) infected with Colletotrichum musae. 2-(4-Hydroxyphenyl)naphthalic anhydride is found in fruits.
Marshrin
Marshrin is found in citrus. Marshrin is a constituent of the roots of Marsh grapefruit (Citrus paradisi). Constituent of the roots of Marsh grapefruit (Citrus paradisi). Marshrin is found in citrus.
1-[4,9-Dihydro-2-(methylthio)-1,3-thiazino[6,5-b]indol-4-yl]-2-propanone
1-[4,9-Dihydro-2-(methylthio)-1,3-thiazino[6,5-b]indol-4-yl]-2-propanone is found in brassicas. 1-[4,9-Dihydro-2-(methylthio)-1,3-thiazino[6,5-b]indol-4-yl]-2-propanone is isolated from Chinese cabbage (Brassica campestris ssp. pekinensis, Cruciferae) inoculated with the bacterium Pseudomonas cichorii. Isolated from Chinese cabbage (Brassica campestris sspecies pekinensis, Cruciferae) inoculated with the bacterium Pseudomonas cichorii. 1-[4,9-Dihydro-2-(methylthio)-1,3-thiazino[6,5-b]indol-4-yl]-2-propanone is found in brassicas.
gamma-Pyrufuran
gamma-Pyrufuran is found in pomes. gamma-Pyrufuran is a constituent of Pyrus communis (pear) infected with Chondrostereum purpureum
3-Hydroxyphloretin
3-Hydroxyphloretin is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Cartorimine
Constituent of Carthamus tinctorius (safflower). Cartorimine is found in fats and oils and herbs and spices. Cartorimine is found in fats and oils. Cartorimine is a constituent of Carthamus tinctorius (safflower)
5-(4-Acetoxy-3-oxo-1-butynyl)-2,2'-bithiophene
5-(4-Acetoxy-3-oxo-1-butynyl)-2,2-bithiophene is isolated from Tagetes erecta (African marigold). Isolated from Tagetes erecta (African marigold)
4-Hydroxy-5-(3'-hydroxyphenyl)-valeric acid-3'-O-sulphate
C11H14O7S (290.04602140000003)
4-Hydroxy-5-(3-hydroxyphenyl)-valeric acid-3-O-sulphate belongs to the family of Sulfated Fatty Acids. These are fatty acids containing linked to a sulfate group linked to its tail.
4-Hydroxy-5-(4'-hydroxyphenyl)-valeric acid-4'-O-sulphate
C11H14O7S (290.04602140000003)
4-Hydroxy-5-(4-hydroxyphenyl)-valeric acid-4-O-sulphate belongs to the family of Tyrosols and Derivatives. These are compounds containing an hydroxyethyl group atached to the C4 carbon of a phenol group.
Dedimethylchlorpromazine
C15H15ClN2S (290.06444200000004)
Dedimethylchlorpromazine is a metabolite of chlorpromazine. Chlorpromazine (as chlorpromazine hydrochloride, abbreviated CPZ; marketed in the United States as Thorazine and elsewhere as Largactil) is a typical antipsychotic. First synthesized on December 11, 1950, chlorpromazine was the first drug developed with specific antipsychotic action, and would serve as the prototype for the phenothiazine class of drugs, which later grew to comprise several other agents. (Wikipedia)
3,4-Dihydroxyphenylvaleric acid 4 sulfate
C11H14O7S (290.04602140000003)
3,5-Dihydroxyphenylvaleric acid sulfate
C11H14O7S (290.04602140000003)
1H-Pyrrole-2,5-dione, 1-[4-(2-benzoxazolyl)phenyl]-
5-(2-Chloroethyl)-2'-deoxyuridine
Hepsulfam
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents
Sultiame
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics
Apigeninidin
Apigeninidin is a member of the class of compounds known as 7-hydroxyflavonoids. 7-hydroxyflavonoids are flavonoids that bear one hydroxyl group at the C-7 position of the flavonoid skeleton. Apigeninidin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Apigeninidin can be found in sorghum, which makes apigeninidin a potential biomarker for the consumption of this food product. Apigeninidin (Also, apigenidin, or Gesneridin) is a chemical compound belonging to the 3-deoxyanthocyanidins and that can be found in the Patagonian plant Ephedra frustillata and in the soybean. Apigeninidin is one of the principal pigments found in sorghum. Extremely high level of apigeninidin (49 mg/g) has been documented in sorghum leaf sheath. Like all anthocyanidins it exists in a variety of tautomers depending on pH and hydration, several of these bare the distinctive pyrylium core .
Methylarctate B
Methylarctate b, also known as methylarctic acid b, is a member of the class of compounds known as bi- and oligothiophenes. Bi- and oligothiophenes are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms. Methylarctate b is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Methylarctate b can be found in burdock, which makes methylarctate b a potential biomarker for the consumption of this food product.
(2R-cis)-2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
1beta,2beta-Epoxymiscandenin
Fisetinidol-4alpha-ol
Epioritin-4alpha-ol
Robinetinidol
A pentahydroxyflavan that is (2S)-flavan substituted by hydroxy groups at positions 3, 7, 3, 4 and 5. Isolated from Acacia mearnsii, it exhibits inhibitory activity against alpha-amylase and lipase.
Catechin
Annotation level-1 Catechin ((+)-Catechin) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. Catechin ((+)-Catechin) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM.
(2-acetylphenyl) 4-methylbenzenesulfonate
C15H14O4S (290.06127640000005)
1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea
sultiame
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu)
pleosporone
A carbotricyclic compound that is 1,2,3,4-tetrahydroanthracene-9,10-dione substituted by hydroxy groups at positions 1, 2, 3 and 8 and a methyl group at position 6. It is isolated from a pleosporalean ascomycete (MF7028), an endophytic fungus from Anthyllis vulneraria and exhibits modest antibacterial activity against a number of bacterial strains. Additionally it exhibits cytotoxicity against HeLa cells.
3,4-dihydro-2-(4-hydroxyphenyl)-2h-1-benzopyran-3 ,4,7,8-tetrol
1,2-epoxy-1-(3,4-dihydroxyphenyl)-3-(2,3,5-trihydroxyphenyl)propane|katsumadin
5-Hydroxy-2,9-bis(hydroxymethyl)-8,11-dihydro-4H-pyrano[2,3-g][1]benzooxepin-4-one
2-(pent-1,3-diynyl)-5-(4-acetoxy-3-chlorobut-1-ynyl)thiophene|2-<4-Acetoxy-3-chlor-butin-(1)-yl>-5--thiophen|2--5-<3-chlor-4-acetoxy-butin-(1)-yl>-thiophen|2-Chloro,Ac-4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol|4-acetoxy-3-chloro-1-(5-penta-1,3-diynyl-thiophen-2-yl)-but-1-yne
2,3-Dihydro-5-hydroxy-4-hydroxymethyl-8-methoxynaphtho[1,2-b]furan-6,9-dione
(1R,3S)-ventiloquinone G|Ventiloquinone G|ventiloquinone-G
Me ester-Aipha-Oxo-5-(1-propynyl)[2,2-bithiophene]-5-acetic acid|methyl arctate-b
4-(2-Hydroxy-3-methyl-3-butenyloxy)-8H-1,3-dioxolo[4,5-h][1]benzopyran-8-one
(3R,4aS)-4,4a-dihydro-3,7-dihydroxy-9-methoxy-4a-methyl-3H-benzo[c]chromen-2,6-dione|dehydroaltenuene A
7-Benzoyloxy-4-hydroxy-1-methoxy-2E,4Z-heptadien-1,6-dione|7-benzoyloxy-4-hydroxy-1-methoxy-2E,4Z-heptadiene-1,6-dione
2-Methyl-5,9-dihydroxy-9-(hydroxymethyl)-8,9-dihydro-1,7-dioxa-4H-cyclohepta[a]naphthalene-4-one
5-methyl-[5-(4-acetoxy-1-butynyl)]-2,2-bithiophene|5-(4-Acetoxy-1-butynyl)-5-methyl-2,2-bithiophene
C15H14O2S2 (290.04351840000004)
2-Methylpropanoyl,Me ester 7-Hydroxy-2-oxo-2H-1-benzopyran-6-carboxylic acid
1,3,7,8-tetrahydroxy-2-methoxy-9H-xanthen-9-one|1,3,7,8-tetrahydroxy-2-methoxyxanthone|rhodanthenone B
Epicatechin
(-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB. (-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB. (-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB. (-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB.
(2E)-3-[(3S)-5-acetyl-3,4-dihydro-6-methoxy-1-oxo-1H-2-benzopyran-3-yl]-2-propenoic acid
(1R,3R,5R,7S,8R,9S)-1,5-dihydroxy-3,8-epoxyvalechlorine|(1S,3R,5R,7S,8S,9S)-3,8-epoxy-1,5-dihydroxyvalechlorine|1,5-dihydroxy-3,8-epoxyvalechlorine
C12H15ClO6 (290.05571199999997)
5-bromo-8-methoxy-1-methyl-beta-carboline
C13H11BrN2O (290.00546959999997)
A member of the class of beta-carboline that is 9H-beta-carboline substituted by bromo, methoxy and a methyl group at positions 5, 8 and 1 respectively. It is isolated from a marine bryozoan Pterocella vesiculosa and has been found to exhibit moderate antitumour activity against the P388 murine leukemia cell line. Additionally it shows antimicrobial activity towards the Gram-positive bacterium Bacillus subtilis and the fungi Candida albicans and Trichophyton mentagrophytes.
Di-Ph ester-(2RS,3SR)-(3-Methyloxiranyl)phosphonic acid
C15H15O4P (290.07079200000004)
Dihydromicromelin B
10,11-Dihydro-1-methyl-10,11-dioxophenanthro[1,2-b]furan-6-carbaldehyde
2-(2-acetoxyethyl)-5-prop-1-inyl-dithienyl|2-<2-acetoxyethyl>-5-prop-1-inyl-dithienyl
C15H14O2S2 (290.04351840000004)
juglomycin C methyl ester|Juglomycin C-methylester
1.3.5.8-Tetrahydroxy-6-methyl-1.2.3.4-tetrahydro-anthrachinon|5,6,7,8-Tetrahydro-Catenarin
(alphaR)-alpha,3,4,2,4-pentahydroxydihydrochalcone|alpha,2,3,4,4-pentahydroxydihydrochalcone
1-Methyl-5,6,8-trihydroxy 3-methoxynaphtho[2,3-c]furan-4,9-dione
7-(3,3-Dimethyloxiranyl)methoxy-5,6-methylenedioxycoumarin|7-(3-Methyl-2,3-epoxybutyloxy)-5,6-methylendioxycumarin
5-[3-(4-hydroxy-3-methoxyphenyl)oxiran-2-yl]benzene-1,2,3-triol|gnetumelin C
L-CATECHIN
(-)-catechin is the (-)-enantiomer of catechin. It has a role as a metabolite. It is an enantiomer of a (+)-catechin. (-)-Catechin is a natural product found in Smilax corbularia, Cinnamomum kotoense, and other organisms with data available. The (-)-enantiomer of catechin. (-)-Catechin is an isomer of Catechin having a trans 2S,3R configuration at the chiral center. Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. (-)-Catechin is an isomer of Catechin having a trans 2S,3R configuration at the chiral center. Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. (-)-Catechin is an isomer of Catechin having a trans 2S,3R configuration at the chiral center. Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. (-)-Catechin is an isomer of Catechin having a trans 2S,3R configuration at the chiral center. Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM.
Leucopelargonidin
Leucopelargonidin is a leucoanthocyanidin.
GSAC dipeptide
gamma-Glutamyl-S-allylcysteine is a natural product found in Allium sativum with data available. See also: Garlic (part of). γ-Glutamyl-S-allylcysteine (L-γ-Glutamyl-(S)-Allyl-Cysteine) is a naturally occurring organosulfur compound found in garlic. γ-Glutamyl-S-allylcysteine has antiglycative effect and shows radical-scavenging and metal-chelating capacities[1][2]. γ-Glutamyl-S-allylcysteine (L-γ-Glutamyl-(S)-Allyl-Cysteine) is a naturally occurring organosulfur compound found in garlic. γ-Glutamyl-S-allylcysteine has antiglycative effect and shows radical-scavenging and metal-chelating capacities[1][2].
(-)-Epicatechin
Ent-epigallocatechin 3-gallate is a member of the class of compounds known as catechin gallates. Catechin gallates are organic compounds containing a gallate moiety glycosidically linked to a catechin. Ent-epigallocatechin 3-gallate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Ent-epigallocatechin 3-gallate can be found in tea, which makes ent-epigallocatechin 3-gallate a potential biomarker for the consumption of this food product. Annotation level-1 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 4621; CONFIDENCE confident structure (-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB. (-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB. (-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB. (-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB.
Isoprothiolane
CASMI2013 Challenge_5 MS2 data; [MS1] MSJ00009 CASMI2013 Challenge_5 MS1 data; [MS2] MSJ000010
(+/-)-Catechin
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.345 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.348 (±)-Catechin (rel-Cianidanol) is the racemate of Catechin. (±)-Catechin has two steric forms of (+)-Catechin and its enantiomer (-)-Catechin. (+)-Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. Anticancer, anti-obesity, antidiabetic, anticardiovascular, anti-infectious, hepatoprotective, and neuroprotective effects[1]. (±)-Catechin (rel-Cianidanol) is the racemate of Catechin. (±)-Catechin has two steric forms of (+)-Catechin and its enantiomer (-)-Catechin. (+)-Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. Anticancer, anti-obesity, antidiabetic, anticardiovascular, anti-infectious, hepatoprotective, and neuroprotective effects[1].
Guanabenz acetate
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Guanabenz (Acetate) (BR-750) is an alpha-2 selective adrenergic agonist used as an antihypertensive agent.
Catechol
Catechin ((+)-Catechin) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. Catechin ((+)-Catechin) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM.
2-(4,5-dihydroxy-2-methylphenyl)-6-hydroxy-4-methoxybenzoic acid
methyl 7-(2-methylpropanoyloxy)-2-oxochromene-6-carboxylate
2,5,8-trihydroxy-6-methoxy-2-methyl-3H-benzo[g]chromen-4-one
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CLE_291.1026_12.2
CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 200
(-)-Catechin
(-)-Catechin is an isomer of Catechin having a trans 2S,3R configuration at the chiral center. Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. (-)-Catechin is an isomer of Catechin having a trans 2S,3R configuration at the chiral center. Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. (-)-Catechin is an isomer of Catechin having a trans 2S,3R configuration at the chiral center. Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. (-)-Catechin is an isomer of Catechin having a trans 2S,3R configuration at the chiral center. Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM.
altenusin
A carboxybiphenyl that is [biphenyl]-2-carboxylic acid which is substituted by a hydroxy group at positions 3, 4 and 5, methoxy group at position 5 and a methyl group at position 2. It is a a metabolite isolated from Alternaria and several other fungal species.
EpCt-pl
Origin: Plant; Formula(Parent): C15H14O6; Bottle Name:(+)-Epicatechin / (-)-Epicatechin; PRIME Parent Name:(+)-Epicatechin / (-)-Epicatechin; PRIME in-house No.:?T0003 T0004, Pyrans (?T0003: (+)-Epicatechin, ?T0004: (-)-Epicatechin) (-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB. (-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB. (-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB. (-)-Epicatechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 3.2 μM. (-)-Epicatechin inhibits the IL-1β-induced expression of iNOS by blocking the nuclear localization of the p65 subunit of NF-κB.
methyl 7-(2-methylpropanoyloxy)-2-oxochromene-6-carboxylate [IIN-based on: CCMSLIB00000846815]
2,5,8-trihydroxy-6-methoxy-2-methyl-3H-benzo[g]chromen-4-one [IIN-based on: CCMSLIB00000847293]
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol [IIN-based on: CCMSLIB00000848337]
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol [IIN-based: Match]
2,5,8-trihydroxy-6-methoxy-2-methyl-3H-benzo[g]chromen-4-one [IIN-based: Match]
methyl 7-(2-methylpropanoyloxy)-2-oxochromene-6-carboxylate [IIN-based: Match]
(4S)-(3,4-Dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
N-g-Glutamyl-S-allylcysteine
Fonsecin
A naphtho-gamma-pyrone that is 2,3-dihydro-4H-benzo[g]chromen-4-one bearing a methyl substituent at position 2, a methoxy substituent at position 6 and three hydroxy substituents at positions 2, 5 and 8.
2,3-dihydroxy-9-phenyl-2,3-dihydro-1H-phenalen-1-one
Cartorimine
Ent-Catechin
(-)-Catechin is an isomer of Catechin having a trans 2S,3R configuration at the chiral center. Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. (-)-Catechin is an isomer of Catechin having a trans 2S,3R configuration at the chiral center. Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. (-)-Catechin is an isomer of Catechin having a trans 2S,3R configuration at the chiral center. Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. (-)-Catechin is an isomer of Catechin having a trans 2S,3R configuration at the chiral center. Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM.
Catechin C
C26170 - Protective Agent > C275 - Antioxidant
N-g-Glutamyl-S-(1-propenyl)cysteine
1-[2-(methylsulfanyl)-4H,9H-[1,3]thiazino[6,5-b]indol-4-yl]propan-2-one
N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine
2-(4-hydroxyphenyl)naphthalic anhydride
6-Hydroxy-a-pyrufuran
2-Naphthalenesulfonicacid, 5-amino-6-ethoxy-, sodium salt (1:1)
C12H13NNaO4S+ (290.04629580000005)
4-Bromo-N-(tert-butyl)-5-fluoro-2-nitroaniline
C10H12BrFN2O2 (290.00661239999994)
1H-Indole-3-carboxaldehyde,2-(3-pyridinyl)-5-(trifluoromethyl)-(9CI)
2-Morpholin-4-yl-4-phenyl-thiazole-5-carboxylic acid
C14H14N2O3S (290.07250940000006)
2-chloro-4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidine
1-Acetyl-3-o-toluyl-5-fluorouracil
C14H11FN2O4 (290.07028180000003)
(7-BROMO-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)(4-CHLOROPHENYL)METHANONE
3-(2,4-DIFLUORO-PHENYL)-2-MERCAPTO-3H-QUINAZOLIN-4-ONE
C14H8F2N2OS (290.03253820000003)
[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid
3-CHLORO-3-(METHOXYCARBONYL)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
4-CHLORO-3-(METHOXYCARBONYL)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
L-ASPARTIC ACID ALPHA-(7-AMIDO-4-METHYLCOUMARIN), TRIFLUOROACETIC ACID SALT
2-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide,hydrochloride
(4-chloro-benzyl)-pyridin-4-yl-amine dihydrochloride
N-[(2-chlorophenyl)methyl]pyridin-3-amine,dihydrochloride
(2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
(3-CHLORO-BENZYL)-PYRIDIN-4-YL-AMINE DIHYDROCHLORIDE
4-chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline
C11H6ClF3N2O2 (290.00698819999997)
12-Oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxylic acid
2-(2,4,6-TRIFLUORO-PHENYL)-MALONIC ACID DIETHYL ESTER
C13H13F3O4 (290.07658940000005)
2-Amino-N-(2-bromophenyl)benzamide
C13H11BrN2O (290.00546959999997)
1-pyridin-2-yl-ethanone oxime tosylate
C14H14N2O3S (290.07250940000006)
1-Bromo-2,3,4,5-tetramethoxy-6-methylbenzene
C11H15BrO4 (290.01536500000003)
1H-Pyrrolo[2,3-b]pyridine, 5-fluoro-1-[(4-methylphenyl)sulfonyl]-
Urea,1-allyl-3-(8-hydroxy-2-methyl-4-oxo-3(4H)-quinazolinyl)-2-thio- (6CI)
2-Amino-N-(4-bromophenyl)benzamide
C13H11BrN2O (290.00546959999997)
Zoledronic acid hydrate
C78275 - Agent Affecting Blood or Body Fluid > C2136 - Malignancy-Associated Hypercalcemia Inhibitor C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
3-AMINO-9-ETHYL-9H-CARBAZOLE-2-SULFONIC ACID
C14H14N2O3S (290.07250940000006)
1-(2-Nitro-5-(trifluoromethyl)phenyl)piperidin-4-ol
C12H13F3N2O3 (290.08782240000005)
1-Bromo-2-(dimethoxymethyl)-4,5-dimethoxybenzene
C11H15BrO4 (290.01536500000003)
2-(2-Bromo-4-pyridinyl)-1-(6-methyl-2-pyridinyl)ethanone
C13H11BrN2O (290.00546959999997)
3-bromo-7-chloro-1H-pyrrolo[2,3-c]pyridine
C13H11BrN2O (290.00546959999997)
1-(3-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
C11H6ClF3N2O2 (290.00698819999997)
7-Hydroxy-1H-pyrrolo[2,3-b]pyridinium 3-chlorobenzoate
C14H11ClN2O3 (290.04581659999997)
N-[(2-chlorophenyl)methyl]pyridin-4-amine,dihydrochloride
TERT-BUTYL (5-CHLORO-4-FLUORO-2-NITROPHENYL)CARBAMATE
n-benzyl-n-nitroso-p-toluenesulfonamide
C14H14N2O3S (290.07250940000006)
2-(4,5-dichloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
(4-CHLORO-BENZYL)-PYRIDIN-3-YL-AMINE DIHYDROCHLORIDE
2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione
methyl 3-amino-4-[(4-chlorophenyl)methylamino]benzoate
(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxopyridin-3-yl)methanesulfonic acid
C10H14N2O6S (290.05725440000003)
5-BROMO-3-(1-METHYL-1,2,3,6-TETRAHYDRO-PYRIDIN-4-YL)-1H-INDOLE
Ethanimidamide, N-(4-bromo-2,6-difluorophenyl)-N-(1-Methylethyl)-
[2-(Benzothiazol-2-ylamino)-5-oxo-4,5-dihydro-3H-imidazol-4-yl]-acetic acid
C12H10N4O3S (290.04735900000003)
2-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
C11H6ClF3N2O2 (290.00698819999997)
1-(1-BENZYL-5-NITRO-1H-IMIDAZOL-4-YL)-2-NITROETHANONE
Trientine Tetrahydrochloride
C6H22Cl4N4 (290.05984920000003)
(3-(CYCLOPENTYLOXY)-5-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID
4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone
tert-Butoxy(chloro)diphenylsilane
C16H19ClOSi (290.08936339999997)
2-(4-Amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile
(5-nitro-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
C14H14N2O3S (290.07250940000006)
3-Amino-N-(3-Chloro-2-methylphenyl)-4-methoxybenzamide
4-chlorophenyl-beta-d-glucopyranoside
C12H15ClO6 (290.05571199999997)
(R)-1-(4-Chloro-2-(3-Methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanol
2-(1-Chloroethyl)-3-phenylthieno[3,2-d]pyriMidin-4(3h)-one
N,N-bis(4-fluorophenyl)propanediamide
C15H12F2N2O2 (290.08667959999997)
Ethyl 5-amino-1-(3-chlorophenyl)-4-cyano-1H-pyrazole-3-carboxylate
C13H11ClN4O2 (290.05704959999997)
Ethyl 5-amino-1-(4-chlorophenyl)-4-cyano-1H-pyrazole-3-carboxylate
C13H11ClN4O2 (290.05704959999997)
1-(Piperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one dihydrochloride
C11H16Cl2N4O (290.07011059999996)
Ethyl 5-amino-1-(2-chlorophenyl)-4-cyano-1H-pyrazole-3-carboxylate
C13H11ClN4O2 (290.05704959999997)
2-(3,5-DICHLORO-4-FLUOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
3-(4-Chloro-5,8-dimethyl-2-quinolinyl)-1,2,4-thiadiazol-5-amine
Sodium 6,7-dimethoxy-2-naphthalenesulfonate
C12H11NaO5S (290.02248760000003)
EPSILON-AMINOCAPROYL-P-CHLORO-BENZYLAMIDE HYDROCHLORIDE
2-(4-methoxy-3-phenylmethoxyphenyl)acetyl chloride
3-NITRO-4-METHOXYANILINOSULFONYL ACETIC ACID
C9H10N2O7S (290.02087100000006)
2,2,6,6-tetramethyl-3,5-heptanedionato silver (i)
C11H19AgO2 (290.04359239999997)
3-benzyl-7-bromo-3-azabicyclo[2.2.1]heptane-5-carbonitrile
1-(6-CHLORO-5-NITRO-4-PYRIMIDINYL)-1,2,3,4-TETRAHYDROQUINOLINE
C13H11ClN4O2 (290.05704959999997)
1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl chloride
4-((4-(ALLYLOXY)PHENYL)SULFONYL)PHENOL
C15H14O4S (290.06127640000005)
D-Sedoheptulose 7-phosphate
D-Sedoheptulose 7-phosphate (CAS: 2646-35-7) is an intermediate of the pentose phosphate pathway (PPP) that has two functions: (1) the generation of NADPH for reductive syntheses and oxidative stress responses within cells, and (2) the formation of ribose residues for nucleotide and nucleic acid biosynthesis (PMID: 16055050). It is formed by transketolase and acted upon (degraded) by transaldolase. Sedoheptulose 7-phosphate can be increased in the blood of patients affected with a transaldolase deficiency, a genetic disorder (PMID: 12881455). Sedoheptulose is a ketoheptose, a monosaccharide with seven carbon atoms and a ketone functional group. It is one of the few heptoses found in nature (Wikipedia). D-Sedoheptulose 7-phosphate is an intermediate of the Pentose phosphate pathway (PPP) that has two functions: the generation of NADPH for reductive syntheses and oxidative stress responses within cells, and the formation of ribose residues for nucleotide and nucleic acid biosynthesis. (PMID 16055050)
Gerfelin
A member of the class of benzoic acids that is salicylic acid which is substituted at position 6 by a methyl group and at position 4 by a 2,3-dihydroxy-5-methylphenoxy group.
5-(2-Chloroethyl)-2-deoxyuridine
D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-3-pyridinecarboxamide
C14H11ClN2O3 (290.04581659999997)
N-[(E)-(4-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
C13H11FN4O3 (290.08151480000004)
1-(3,4-Dihydroxyphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone
C14H14N2O3S (290.07250940000006)
1-Piperidinecarboxylic acid (5-chloro-8-quinolinyl) ester
1-(4-Amino-3,5-dichlorophenyl)-2-(3-methylbutylamino)ethanol
1-Chloro-1,2,2-trimethyl-1,2-diphenyldisilane
C15H19ClSi2 (290.07137639999996)
Bis(3,3,3-trifluoropropyl) hydrogen phosphate
C6H9F6O4P (290.01426360000005)
5-Nitroso-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione
Ndelta-(N-sulphodiaminophosphinyl)-L-ornithine
C5H15N4O6PS (290.04499000000004)
AIDS-026330
C26170 - Protective Agent > C275 - Antioxidant
SMP1_000325
(-)-Catechin is an isomer of Catechin having a trans 2S,3R configuration at the chiral center. Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. (-)-Catechin is an isomer of Catechin having a trans 2S,3R configuration at the chiral center. Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. (-)-Catechin is an isomer of Catechin having a trans 2S,3R configuration at the chiral center. Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. (-)-Catechin is an isomer of Catechin having a trans 2S,3R configuration at the chiral center. Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM.
KB-53
Catechin ((+)-Catechin) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM. Catechin ((+)-Catechin) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM.
L-alanin-3-yl L-histidin-5-yl sulfoxide
C9H14N4O5S (290.06848740000004)
(1R,5aS,6R)-4a-hydroxy-4,5,5a,6,9,10a-hexahydro-1H-phenazine-1,6-dicarboxylate
2,3,5-Trihydroxy-4-phosphonooxyadipic acid
An alpha,omega-dicarboxylic acid and phosphate monoester that is adipic acid with a phosphate group at position 4 and hydroxy groups at positions 2, 3, and 5.
(2S)-2-amino-5-[[amino-(sulfoamino)phosphoryl]amino]pentanoic acid
C5H15N4O6PS (290.04499000000004)
2-{6[(2Amino-2-carboxyethyl)-sulfanyl]1-hydroxycyclohex-2-en1yl}-acetate
C11H16NO6S- (290.06982960000005)
(2,6-Diamino-4-piperidin-1-ylpyrimidin-1-ium-1-yl) hydrogen sulfate
C9H16N5O4S+ (290.09229560000006)
3,4-Dihydroxyphenylvaleric acid 4 sulfate
C11H14O7S (290.04602140000003)
4,13-diamino-1,2,8,9-tetraoxacyclotetradecane-3,7,10,14-tetrone
4,7,9-trihydroxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
3,5-Dihydroxyphenylvaleric acid sulfate
C11H14O7S (290.04602140000003)
Monoacetyldapsone
C14H14N2O3S (290.07250940000006)
D000890 - Anti-Infective Agents
6-Bromoharmine
C13H11BrN2O (290.00546959999997)
A member of the class of beta-carbolines that is 9H-beta-carboline substituted by a bromo group at position 6, a methoxy group at position 7 and a methyl group at position 1. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity.
1-(4-Chlorophenyl)-3-(2-phenylethyl)thiourea
C15H15ClN2S (290.06444200000004)
Legioliulin
A member of the class of isocoumarins that is 8-hydroxy-1H-isochromen-1-one substituted by a (1E,3E)-4-phenylbuta-1,3-dien-1-yl group at position 3. It is a fluorophore responsible for the blue-white autofluorescence in Legionella dumoffii.
1-(5-Ethyl-2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone
N-[(5-chloro-8-hydroxy-7-quinolinyl)-cyclopropylmethyl]acetamide
({[(1R,2R)-2-(uracil-1-yl)cyclopentyl]oxy}methyl)phosphonic acid
6-amino-5-cyano-4-(2-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide
4-(5-Chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl ester
(2S,4S)-4,8-dihydroxy-7,10-dioxo-1,2,3,4,7,10-hexahydrobenzo[c][1,5]naphthyridine-2-carboxylic acid
C13H10N2O6 (290.05388400000004)
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-furancarboxamide
N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-oxolanecarboxamide
2-(3-chlorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazine-7-thione
5-[[(2-methylanilino)-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid methyl ester
ethyl 3-[(2-oxo-2H-chromen-4-yl)thio]-2-butenoate
C15H14O4S (290.06127640000005)
2-[(3-cyano-6-methyl-2-pyridinyl)thio]-N-(2-thiazolyl)acetamide
[[2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoethyl]thio]methanethioic acid O-ethyl ester
N-(2-furoyloxy)-3,4-dimethoxybenzenecarboximidamide
N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-furancarboxamide
N-[(E)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]pyridine-4-carboxamide
N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]-3-oxolanecarboxamide
5-Phenyl-2-[4-(triluoromethyl)pyridin-3-yl]-1,3-oxazole
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-nitrothiophen-2-yl)methanimine
N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide
C14H11ClN2O3 (290.04581659999997)
1-[3-(4-Nitrophenyl)-5,6-dihydroimidazo[2,1-b]thiazol-7-ium-7-yl]ethanone
C13H12N3O3S+ (290.05993420000004)
(6R,7S,8aS)-6-(4-hydroxyphenyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-hydroxy-4-methoxy-2,3-dihydropyran-6-one
1-Ethyl-6-methyl-2-(4-chlorophenyl)-4-oxonicotinate
(Z)-2-(1H-benzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
(5Z)-5-[(4-Methoxy-3-methylphenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
C14H14N2O3S (290.07250940000006)
3-(3-Methoxy-4-sulooxyphenyl)-2-oxopropanoic acid
C10H10O8S (290.00963800000005)
1-(4-Chlorophenyl)sulfonyl-3-(2-oxopropyl)urea
C10H11ClN2O4S (290.01280360000004)
3-(3-Methoxy-4-sulooxyphenyl)oxirane-2-carboxylic acid
C10H10O8S (290.00963800000005)
2-[(4-hydroxyphenyl)methyl]-3H-1-benzouran-2,3,4,6-tetrol
2-[3-(1,3-Benzodioxol-5-yl)oxiran-2-yl]-4-methoxy-2,3-dihydropyran-6-one
{[(2R,3S,4R,5S)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy}phosphonic acid
Tetraethyl pyrophosphate
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Sedoheptulose 7-phosphate
A ketoheptose phosphate consisting of sedoheptulose having a phosphate group at the 7-position. It is an intermediate metabolite in the pentose phosphate pathway.
3-Deoxyleucocyanidin
A leucoanthocyanidin that is the 3-deoxy derivative of (2R,3S,4S)-leucocyanidin.
7-O-phosphono-D-glycero-beta-D-manno-heptopyranose
2,8-Dihydroxy-3,4,7-trimethoxydibenzofuran
A member of the class of dibenzofurans that is dibenzofuran substituted by methoxy groups at positions 3, 4 and 7 and hydroxy groups at positions 2 and 8.
3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
4-Hydroxy-5-(4-hydroxyphenyl)-valeric acid-4-O-sulphate
C11H14O7S (290.04602140000003)
4-Hydroxy-5-(3-hydroxyphenyl)-valeric acid-3-O-sulphate
C11H14O7S (290.04602140000003)
2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one
fumisoquin C
C13H10N2O6 (290.05388400000004)
An isoquinoline alkaloid produced by a biosynthetic gene cluster called fsq in the human pathogen Aspergillus fumigatus.
D-glycero-beta-D-manno-heptose 7-phosphate
The 1-beta-anomer of D-glycero-D-manno-heptose 7-phosphate.
N-benzyl-4-sulfamoylbenzamide
C14H14N2O3S (290.07250940000006)
A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-sulfamoylbenzoic acid with the amino group of 1-phenylmethanamine. It is a potent inhibitor of carbonic anhydrase II.
N-(indole-3-acetyl)-L-aspartic acid
An N-acyl-L-aspartic acid in which the acyl group is specified as indole-3-acetyl.
S-(5-histidyl)cysteine sulfoxide dizwitterion
C9H14N4O5S (290.06848740000004)
An L-alpha-amino acid zwitterion formed from S-(5-histidyl)cysteine sulfoxide by transfer of protons from the two carboxy to the two amino grousp; major species at pH 7.3.
2-Hydroxy-1-(2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
AKB-6899
C14H11FN2O4 (290.07028180000003)
AKB-6899, a prolyl hydroxylase domain 3 (PHD3) inhibitor, is a selective HIF-2α stabilizer. AKB-6899 also increases soluble form of the VEGF receptor (sVEGFR-1) production from GM-CSF-treated macrophages, and has antitumor and antiangiogenic effects[1].
Nicotinamide riboside (chloride)
Nicotinamide riboside Chloride, an orally active NAD+ precursor, increases NAD+ levels and activates SIRT1 and SIRT3. Nicotinamide riboside Chloride is a source of vitamin B3 (niacin) and enhances oxidative metabolism, protection against high fat diet-induced metabolic abnormalities[1]. Nicotinamide riboside Chloride reduces cognitive deterioration in a transgenic mouse model of Alzheimer’s disease[2]. Nicotinamide riboside Chloride, an orally active NAD+ precursor, increases NAD+ levels and activates SIRT1 and SIRT3. Nicotinamide riboside Chloride is a source of vitamin B3 (niacin) and enhances oxidative metabolism, protection against high fat diet-induced metabolic abnormalities[1]. Nicotinamide riboside Chloride reduces cognitive deterioration in a transgenic mouse model of Alzheimer’s disease[2].