Exact Mass: 318.0567
Exact Mass Matches: 318.0567
Found 500 metabolites which its exact mass value is equals to given mass value 318.0567,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gossypetin
Gossypetin is a hexahydroxyflavone having the hydroxy groups placed at the 3-, 3-, 4-, 5- 7- and 8-positions. It has a role as a plant metabolite. It is a 7-hydroxyflavonol and a hexahydroxyflavone. It is a conjugate acid of a gossypetin-3-olate and a gossypetin(1-). Gossypetin is a natural product found in Sedum brevifolium, Rhododendron stenophyllum, and other organisms with data available. See also: Primula veris flower (part of); Larrea tridentata whole (part of). A hexahydroxyflavone having the hydroxy groups placed at the 3-, 3-, 4-, 5- 7- and 8-positions.
Myricetin
Myricetin, also known as cannabiscetin or myricetol, belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Thus, myricetin is considered to be a flavonoid lipid molecule. A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 3, 4, 5, 5 and 7. Myricetin is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Myricetin is found, on average, in the highest concentration within a few different foods, such as common walnuts, carobs, and fennels and in a lower concentration in welsh onions, yellow bell peppers, and jutes. Myricetin has also been detected, but not quantified in several different foods, such as napa cabbages, sesames, mixed nuts, lichee, and garden cress. Myricetin is a hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 3, 4, 5, 5 and 7. It has been isolated from the leaves of Myrica rubra and other plants. It has a role as a cyclooxygenase 1 inhibitor, an antineoplastic agent, an antioxidant, a plant metabolite, a food component, a hypoglycemic agent and a geroprotector. It is a hexahydroxyflavone and a 7-hydroxyflavonol. It is a conjugate acid of a myricetin(1-). Myricetin is a natural product found in Ficus auriculata, Visnea mocanera, and other organisms with data available. Myricetin is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Quercetin (related). Flavanol found in a wide variety of foodstuffs especially in red table wine, bee pollen, bilberries, blueberries, bog whortleberries, broad beans, Chinese bajberry, corn poppy leaves, cranberries, crowberries, blackcurrants, dock leaves, fennel, grapes, parsley, perilla, rutabaga, dill weed and tea (green and black). Glycosides are also widely distributed. Potential nutriceutical showing anti-HIV activity A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 3, 4, 5, 5 and 7. It has been isolated from the leaves of Myrica rubra and other plants. COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS [Raw Data] CB066_Myricetin_pos_30eV_CB000028.txt [Raw Data] CB066_Myricetin_pos_20eV_CB000028.txt [Raw Data] CB066_Myricetin_pos_40eV_CB000028.txt [Raw Data] CB066_Myricetin_pos_50eV_CB000028.txt [Raw Data] CB066_Myricetin_pos_10eV_CB000028.txt [Raw Data] CB066_Myricetin_neg_10eV_000019.txt [Raw Data] CB066_Myricetin_neg_40eV_000019.txt [Raw Data] CB066_Myricetin_neg_50eV_000019.txt [Raw Data] CB066_Myricetin_neg_20eV_000019.txt [Raw Data] CB066_Myricetin_neg_30eV_000019.txt Myricetin is a common plant-derived flavonoid with a wide range of activities including strong anti-oxidant, anticancer, antidiabetic and anti-inflammatory activities. Myricetin is a common plant-derived flavonoid with a wide range of activities including strong anti-oxidant, anticancer, antidiabetic and anti-inflammatory activities.
Phenolphthalein
A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AB - Contact laxatives D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D010635 - Phenolphthaleins
Brompheniramine
Brompheniramine (also known as Bromfed, Bromfenex, and Dimetane) is an antihistamine drug of the propylamine class. It is commonly available over the counter and is indicated for the treatment of the symptoms of the common cold and allergic rhinitis, such as runny nose, itchy eyes, watery eyes, and sneezing. It is a first-generation antihistamine; Brompheniramine (also known as Bromfed, Bromfenex, and Dimetane) is an antihistamine drug of the propylamine class. It is commonly available over the counter and is indicated for the treatment of the symptoms of the common cold and allergic rhinitis, such as runny nose, itchy eyes, watery eyes, and sneezing. It is a first-generation antihistamine. -- Wikipedia; Histamine H1 antagonist used in treatment of allergies, rhinitis, and urticaria. [HMDB] Brompheniramine (also known as Bromfed, Bromfenex, and Dimetane) is an antihistamine drug of the propylamine class. It is commonly available over the counter and is indicated for the treatment of the symptoms of the common cold and allergic rhinitis, such as runny nose, itchy eyes, watery eyes, and sneezing. It is a first-generation antihistamine; Brompheniramine (also known as Bromfed, Bromfenex, and Dimetane) is an antihistamine drug of the propylamine class. It is commonly available over the counter and is indicated for the treatment of the symptoms of the common cold and allergic rhinitis, such as runny nose, itchy eyes, watery eyes, and sneezing. It is a first-generation antihistamine. -- Wikipedia; Histamine H1 antagonist used in treatment of allergies, rhinitis, and urticaria. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents
Lecanoricacid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Lecanoric acid is a histidine-decarboxylase inhibitor isolated from fungus. The inhibition by lecanoric acid is competitive with histidineand noncompetitive with pyridoxal phosphate. Lecanoric acid did not inhibit aromatic amino acid decarboxylase[1].
3-deoxy-D-manno-octulosonate 8-phosphate
3-deoxy-d-manno-octulosonate 8-phosphate is a member of the class of compounds known as monosaccharide phosphates. Monosaccharide phosphates are monosaccharides comprising a phosphated group linked to the carbohydrate unit. 3-deoxy-d-manno-octulosonate 8-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). 3-deoxy-d-manno-octulosonate 8-phosphate can be found in a number of food items such as green zucchini, okra, nopal, and grape, which makes 3-deoxy-d-manno-octulosonate 8-phosphate a potential biomarker for the consumption of these food products.
quercetagetin
D004791 - Enzyme Inhibitors Quercetagetin (6-Hydroxyquercetin) is a flavonoid[1]. Quercetagetin is a moderately potent and selective, cell-permeable pim-1 kinase inhibitor (IC50, 0.34 μM)[2]. Anti-inflammatory and anticancer properties. Quercetagetin (6-Hydroxyquercetin) is a flavonoid[1]. Quercetagetin is a moderately potent and selective, cell-permeable pim-1 kinase inhibitor (IC50, 0.34 μM)[2]. Anti-inflammatory and anticancer properties.
Melanin
Dermal melanin is produced by melanocytes, which are found in the stratum basale of the epidermis. Although human beings generally possess a similar concentration of melanocytes in their skin, the melanocytes in some individuals and races more frequently or less frequently express the melanin-producing genes, thereby conferring a greater or lesser concentration of skin melanin. Some individual animals and humans have no or very little melanin in their bodies, which is a condition known as albinism. Higher eumelanin levels also can be a disadvantage, however, beyond a higher disposition toward vitamin D deficiency. Dark skin is a complicating factor in the laser removal of port-wine stains. Effective in treating fair skin, lasers generally are less successful in removing port-wine stains in Asians and people of African descent. Higher concentrations of melanin in darker-skinned individuals simply diffuse and absorb the laser radiation, inhibiting light absorption by the targeted tissue. Melanin similarly can complicate laser treatment of other dermatological conditions in people with darker skin. Under the microscope melanin is brown, non-refractile and finely granular with individual granules having a diameter of less than 800 nanometers. This differentiates melanin from common blood breakdown pigments which are larger, chunky and refractile and range in color from green to yellow or red-brown. In heavily pigmented lesions, dense aggregates of melanin can obscure histologic detail. A dilute solution of potassium permanganate is an effective melanin bleach. Pigments causing darkness in skin, hair, feathers, etc. They are irregular polymeric structures and are divided into three groups: allomelanins in the plant kingdom and eumelanins and phaeomelanins in the animal kingdom. Because melanin is an aggregate of smaller component molecules, there are a number of different types of melanin with differing proportions and bonding patterns of these component molecules. Both pheomelanin and eumelanin are found in human skin and hair, but eumelanin is the most abundant melanin in humans, as well as the form most likely to be deficient in albinism. Freckles and moles are formed where there is a localized concentration of melanin in the skin. They are highly associated with pale skin. Melanin is a biopolymer and a neuropeptide. In the early 1970s, John McGinness, Peter Corry, and Peter Proctor reported that melanin is a high-conductivity organic semiconductor (Science, vol 183, 853-855 (1974)). Studies revealed that melanin acted as a voltage-controlled solid-state threshold switch. Further, it emitting a flash of light electroluminescence when it switched. Dermal melanin is produced by melanocytes, which are found in the stratum basale of the epidermis. Although human beings generally possess a similar concentration of melanocytes in their skin, the melanocytes in some individuals and races more frequently or less frequently express the melanin-producing genes, thereby conferring a greater or lesser concentration of skin melanin. Some individual animals and humans have no or very little melanin in their bodies, which is a condition known as albinism.
Clotiazepam
Clotiazepam is only found in individuals that have used or taken this drug. It is a benzodiazepine derivative, not approved for sale in the U.S. or Canada, but has been approved in the U.K. It is a schedule IV drug in Canada.Clotiazepam acts at the benzodiazepine receptors (BZD). This agonizes the action of GABA, increasing the frequency of opening of the channel chlorinates and penetration of the ions chlorinates through the ionophore. Increase in membrane polarization decreases the probability of discharge of neurons. N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
Dihydroisorhamnetin
Dihydroisorhamnetin is found in beverages. Dihydroisorhamnetin is isolated from Dillenia indica (elephant apple). Isolated from Dillenia indica (elephant apple). Dihydroisorhamnetin is found in beverages and fruits.
Mycochromone
Mycochromone is produced by Mycosphaerella rosigena. Mycotoxin. Production by Mycosphaerella rosigena. Mycotoxin.
Tamarixetin
Isolated from Blumea balsamifera (sambong). 3,3,5,7-Tetrahydroxy-4-methoxyflavanone is found in tea. Tamarixetin is a flavanoid component of the Ginko Biloba extract. Exhibits antioxidant properties.
Musanolone F
Musanolone F is found in fruits. Musanolone F is a constituent of Musa acuminata (dwarf banana). Constituent of Musa acuminata (dwarf banana). Musanolone F is found in fruits.
3,3',4',5,5',8-Hexahydroxyflavone
3,3,4,5,5,8-Hexahydroxyflavone is found in coffee and coffee products. 3,3,4,5,5,8-Hexahydroxyflavone is isolated from Cassia tora (charota). Isolated from Cassia tora (charota). 3,3,4,5,5,8-Hexahydroxyflavone is found in coffee and coffee products, herbs and spices, and pulses.
Dexbrompheniramine
Dexbrompheniramine is only found in individuals that have used or taken this drug. It is an antihistamine used to treat allergic conditions such as hay fever or urticaria. Dexbrompheniramine competitively binds to the histamine H1-receptor. It competes with histamine for the normal H1-receptor sites on effector cells of the gastrointestinal tract, blood vessels and respiratory tract. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Fenofibric acid
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent Fenofibric acid, an active metabolite of fenofibrate, is a PPAR activitor, with EC50s of 22.4 μM, 1.47 μM, and 1.06 μM for PPARα, PPARγ and PPARδ, respectively; Fenofibric acid also inhibits COX-2 enzyme activity, with an IC50 of 48 nM.
3,4',5,6,7,8-Hexahydroxyflavone
3,4,5,6,7,8-hexahydroxyflavone is a member of the class of compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. 3,4,5,6,7,8-hexahydroxyflavone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3,4,5,6,7,8-hexahydroxyflavone can be found in almond, which makes 3,4,5,6,7,8-hexahydroxyflavone a potential biomarker for the consumption of this food product.
1-Methyl-3a-(1,1-dimethyl-2-propenyl)-6-bromo-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole
1,6-Dihydroxy-3,5,7-trimethoxyxanthone
1,6-Dihydroxy-3,5,7-trimethoxyxanthen-9-one is a natural product found in Cystopteris fragilis and Polygala tenuifolia with data available.
(+)-Dihydroisorhamnetin
A tetrahydroxyflavanone that is taxifolin in which the hydroxy group at position 3 is substituted by a methoxy group. It is a metabolite of taxifolin.
Fenofibric acid
A monocarboxylic acid that is 2-methylpropanoic acid substituted by a 4-(4-chlorobenzoyl)phenoxy group at position 2. It is a metabolite of the drug fenofibrate. C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 337 CONFIDENCE standard compound; INTERNAL_ID 2056 Fenofibric acid, an active metabolite of fenofibrate, is a PPAR activitor, with EC50s of 22.4 μM, 1.47 μM, and 1.06 μM for PPARα, PPARγ and PPARδ, respectively; Fenofibric acid also inhibits COX-2 enzyme activity, with an IC50 of 48 nM.
Diphenyl isophthalate
CONFIDENCE standard compound; INTERNAL_ID 1182; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3914; ORIGINAL_PRECURSOR_SCAN_NO 3910 CONFIDENCE standard compound; INTERNAL_ID 1182; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3906; ORIGINAL_PRECURSOR_SCAN_NO 3905 CONFIDENCE standard compound; INTERNAL_ID 1182; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3882; ORIGINAL_PRECURSOR_SCAN_NO 3878 CONFIDENCE standard compound; INTERNAL_ID 1182; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3891; ORIGINAL_PRECURSOR_SCAN_NO 3888 CONFIDENCE standard compound; INTERNAL_ID 1182; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3911; ORIGINAL_PRECURSOR_SCAN_NO 3910 CONFIDENCE standard compound; INTERNAL_ID 1182; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3922; ORIGINAL_PRECURSOR_SCAN_NO 3920 CONFIDENCE standard compound; INTERNAL_ID 1182; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8029; ORIGINAL_PRECURSOR_SCAN_NO 8028 CONFIDENCE standard compound; INTERNAL_ID 1182; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8044; ORIGINAL_PRECURSOR_SCAN_NO 8041 CONFIDENCE standard compound; INTERNAL_ID 1182; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8074; ORIGINAL_PRECURSOR_SCAN_NO 8072 CONFIDENCE standard compound; INTERNAL_ID 1182; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8093; ORIGINAL_PRECURSOR_SCAN_NO 8092 CONFIDENCE standard compound; INTERNAL_ID 1182; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8106; ORIGINAL_PRECURSOR_SCAN_NO 8104 CONFIDENCE standard compound; INTERNAL_ID 1182; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8082; ORIGINAL_PRECURSOR_SCAN_NO 8078
Methyl 4-cyano-5-(tetrahydro-1H-pyrrol-1-yl)-3-(2-thienyl)thiophene-2-carboxylate
Antibiotic AGI-B4
(E)-3-(8-carboxy-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-1-yl)-2-propenoic acid|crocipodin
(3R)-4-methoxy-3,7,2,3-tetrahydroxyisoflavanonol|(3S)-4-methoxy-3,7,2,3-tetrahydroxyisoflavanonol|isodalparvinol B|isodarparvinol B
F390C
A member of the class xanthones which consists of a dihydroxanthone skeleton substituted by hydroxy groups at positions 4 and 8, a hydroxymethyl group at position 6 and a methoxycarbonyl group at position 4a (the 4R,4aS stereoisomer). It is isolated from Penicillium and exhibits potent antitumour activity against both human and murine tumour cell lines.
2-Dichloro-acetamido-3-(p-acetamidophenyl)-propan-1-ol
Botrallin
An organic heterotricyclic compound that is 2,4a-dihydro-6H-benzo[c]chromen-6-one substituted by hydroxy groups at positions 1 and 7, an oxo group at position 2, methoxy groups at positions 3 and 9, and a methyl group at position 4a. It is isolated from Hyalodendriella species.
(1R,3S)-6,9-dihydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-3-yl acetic acid|8-hydroxydihydrokalafungin|Actinorhodine
6-Sulfo-chinovose-glycerin|6-Sulfo-chinovose-glycerol|6-Sulfo-O-alpha-D-chinopyranosyl-(1->1)-glycerin|6-Sulfo-O-alpha-quino-pyranosyl-(1->1)-glycerin
1-Me ether-Anhydrofusarubinlactol|5,10-dihydroxy-1,7-dimethoxy-3-methyl-1H-naphtho-<2,3-c>-pyran-6,9-dione
Chaetocyclinone B
An organic heterotricyclic compound that is 1H,10H-pyrano[4,3-b]chromene substituted by methyl, hydroxy, methoxy, methoxycarbonyl, and oxo groups at positions 3, 6, 7, 9 and 10, respectively. It is produced by cultures of Chaetomium sp. Goe 100/2, which was isolated from marine algae.
3,4,6,8-Tetrahydroxy-9-oxo-9H-xanthene-1-carboxylic acid methyl ester
(1R,3R,5R,7S,8R,9S)-3,8-epoxy-1-O-ethyl-5-hydroxyvalechlorine
2-Acetyl-3,4,7-trihydroxy-6-methoxy-naphtho[2,3-b]furan-5,8-chinon|2-acetyl-3,4,7-trihydroxy-6-methoxy-naphtho[2,3-b]furan-5,8-quinone
2,6-dihydroxy-4-methoxy-2-[(2,4-dihydroxyphenyl)methyl]-3(2H)-benzofuranone|cudrauronol
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-8-methylchroman-4-one
4H,6H-Benzo(1,2-b:4,5-c)dipyran-8-carboxylic acid, 5-hydroxy-9-methoxy-2-methyl-4,6-dioxo-
8-Chloro-11-hydroxy-1-methoxycarbonyl-9-methylxanthone
4-(2,2-bithiophen-5-yl)but-3-ynyl 3-methylbutanoate|5-(4-isovaleroyloxybut-1-ynyl)-2,2-bithiophene|5-(4-isovaleryloxy-1-butynyl)-2,2-bithiophene
1,8-dihydroxy-2,3,7-trimethoxy-xanthen-9-one|1,8-Dihydroxy-2,3,7-trimethoxyxanthon|2,3,7-Tri-Me ether-1,2,3,7,8-Pentahydroxyxanthone
3-(2,3,4-Trihydroxyphenyl)-3,4-dihydro-6,7-(methylenebisoxy)-2H-1-benzopyran-4-ol
(3R*)-3-(3,4-dihydroxybenzyl)-3,7,8-trihydroxychroman-4-one|haematoxylone
1,8-dihydroxy-3,4,5-trimethoxyxanthone|3-methyl corymbiferin
2-O-(3,4-Dihydroxybenzoyl)-2,4,6-trihydroxyphenylacetic acid
(3R,4R)-7,2,4,2-tetrahydroxy-4,5-methylenedioxyisoflav-3-ene
3-epi-Padmatin
(2R)-2,3-Dihydro-2alpha-(3,4-dihydroxyphenyl)-3alpha,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one is a natural product found in Dittrichia graveolens with data available.
MEGxp0_001397
(2R,3R)-3,3,5,7-Tetrahydroxy-4-methoxyflavanone is a natural product found in Chromolaena odorata, Canarium album, and other organisms with data available.
Drimiopsin D
Quercetagetin
Quercetagetin is a hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 5, 6, 7, 3 and 4 respectively. It has a role as an antioxidant, an antiviral agent and a plant metabolite. It is a member of flavonols and a hexahydroxyflavone. It is functionally related to a quercetin. Quercetagetin is a natural product found in Calanticaria bicolor, Tagetes subulata, and other organisms with data available. See also: Chaste tree fruit (part of). A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 5, 6, 7, 3 and 4 respectively. D004791 - Enzyme Inhibitors Quercetagetin (6-Hydroxyquercetin) is a flavonoid[1]. Quercetagetin is a moderately potent and selective, cell-permeable pim-1 kinase inhibitor (IC50, 0.34 μM)[2]. Anti-inflammatory and anticancer properties. Quercetagetin (6-Hydroxyquercetin) is a flavonoid[1]. Quercetagetin is a moderately potent and selective, cell-permeable pim-1 kinase inhibitor (IC50, 0.34 μM)[2]. Anti-inflammatory and anticancer properties.
Myricetin
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS relative retention time with respect to 9-anthracene Carboxylic Acid is 0.783 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.784 Myricetin is a common plant-derived flavonoid with a wide range of activities including strong anti-oxidant, anticancer, antidiabetic and anti-inflammatory activities. Myricetin is a common plant-derived flavonoid with a wide range of activities including strong anti-oxidant, anticancer, antidiabetic and anti-inflammatory activities.
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dihydroxybenzoate
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-2,3-dihydrochromen-4-one
methyl 2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1,2-dihydroxanthene-1-carboxylate
methyl 4,8-dihydroxy-6-(hydroxymethyl)-9-oxo-4,4a-dihydroxanthene-1-carboxylate
(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-2,3-dihydrochromen-4-one
BROMPHENIRAMINE
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents
dexbrompheniramine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dihydroxybenzoate
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-2,3-dihydrochromen-4-one
(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-2,3-dihydrochromen-4-one
methyl 2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1,2-dihydroxanthene-1-carboxylate
2-{7-hydroxy-11-methyl-2,9-dioxo-12,15-dioxatetracyclo[8.4.1.0¹,¹⁰.0³,⁸]pentadeca-3,5,7-trien-13-yl}acetic acid
phenolphthalein
A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AB - Contact laxatives D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D010635 - Phenolphthaleins CONFIDENCE standard compound; INTERNAL_ID 173; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3720; ORIGINAL_PRECURSOR_SCAN_NO 3717 CONFIDENCE standard compound; INTERNAL_ID 173; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3689; ORIGINAL_PRECURSOR_SCAN_NO 3687 CONFIDENCE standard compound; INTERNAL_ID 173; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3685; ORIGINAL_PRECURSOR_SCAN_NO 3683 CONFIDENCE standard compound; INTERNAL_ID 173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3891; ORIGINAL_PRECURSOR_SCAN_NO 3888 CONFIDENCE standard compound; INTERNAL_ID 173; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3687; ORIGINAL_PRECURSOR_SCAN_NO 3684 CONFIDENCE standard compound; INTERNAL_ID 173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3922; ORIGINAL_PRECURSOR_SCAN_NO 3920 CONFIDENCE standard compound; INTERNAL_ID 173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8029; ORIGINAL_PRECURSOR_SCAN_NO 8028 CONFIDENCE standard compound; INTERNAL_ID 173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8044; ORIGINAL_PRECURSOR_SCAN_NO 8041 CONFIDENCE standard compound; INTERNAL_ID 173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8074; ORIGINAL_PRECURSOR_SCAN_NO 8072 CONFIDENCE standard compound; INTERNAL_ID 173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8093; ORIGINAL_PRECURSOR_SCAN_NO 8092 CONFIDENCE standard compound; INTERNAL_ID 173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8106; ORIGINAL_PRECURSOR_SCAN_NO 8104 CONFIDENCE standard compound; INTERNAL_ID 173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8082; ORIGINAL_PRECURSOR_SCAN_NO 8078
2-{7-hydroxy-11-methyl-2,9-dioxo-12,15-dioxatetracyclo[8.4.1.0¹,¹⁰.0³,⁸]pentadeca-3,5,7-trien-13-yl}acetic acid_major
2-{7-hydroxy-11-methyl-2,9-dioxo-12,15-dioxatetracyclo[8.4.1.0¹,¹⁰.0³,⁸]pentadeca-3,5,7-trien-13-yl}acetic acid_53.1\\%
2-{7-hydroxy-11-methyl-2,9-dioxo-12,15-dioxatetracyclo[8.4.1.0¹,¹⁰.0³,⁸]pentadeca-3,5,7-trien-13-yl}acetic acid_minor
methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dihydroxybenzoate_minor
methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dihydroxybenzoate_major
2-{7-hydroxy-11-methyl-2,9-dioxo-12,15-dioxatetracyclo[8.4.1.0¹,¹?.0³,?]pentadeca-3,5,7-trien-13-yl}acetic acid
clotiazepam
N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
2-(5-Bromo-2,3-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-METHYL-1-NITRO-2-[2-(2-NITROPHENOXY)ETHOXY]-BENZENE
4-Chlorodiazepam
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
4-(5-CHLORO-2-METHOXYBENZOYL)BENZOIC ACID ETHYL ESTER
(S)-7-PHENYL-2-(PYRROLIDIN-2-YL)THIAZOLO[5,4-D]PYRIMIDINE HYDROCHLORIDE
4-Chloro-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
2-(2-Bromo-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Vincofos
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
2-(2-CHLORO-ACETYLAMINO)-N-(4-METHOXY-PHENYL)-BENZAMIDE
(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methyl4-methylbenzene sulfonate
3-Acetoacetylamino-4-methoxytoluene-6-sulfonic acid ammonium salt
ETHYL 1-(3-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE
1-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetic acid
5-BROMO-3-(2-PHENYL-PYRROLIDIN-1-YL)-PYRAZIN-2-YLAMINE
Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
4-amino-N-[4-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
4-(BENZO[B]THIOPHENE-3-SULFONYL)-PIPERAZINE HYDROCHLORIDE
4-(4-CHLORO-7-(METHYLSULFONYL)-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDIN-2-YL)MORPHOLINE
N-[4-(4-Piperidinylcarbonyl)phenyl]methanesulfonamide hydrochlori de (1:1)
tert-butyl 2-(4-chlorophenyl)sulfonyl-2-methylpropanoate
2,5-Cyclohexadiene-1,4-dione,2,5-dichloro-3,6-bis(diethylamino)-
Diethyl [(5-chloro-1-benzothiophen-3-yl)methyl]phosphonate
8-fluoro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
1-(trifluoromethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
Thiazolidine, 2-(4-methoxy-3-nitrophenyl)-3-(methylsulfonyl)- (9CI)
2-CHLORO-N-[4-(MORPHOLINE-4-SULFONYL)-PHENYL]-ACETAMIDE
2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO]-PYRIDINE-3-SULFONIC ACID
Belinostat
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XH - Histone deacetylase (hdac) inhibitors D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents
2-Methyl-2-propanyl 3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8- carboxylate
Dimethyl 3-(benzyloxy)-4-oxo-4H-pyran-2,5-dicarboxylate
1-[2-(Z)-Methoxyimino-2-(2-aminothiazol-4-yl)acetyl]benzotrizole-3-oxide
Ethyl 5-(4-chlorophenyl)-2-(trifluoromethyl)-3-furoate
Atreleuton
D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor
5-(4-Methoxybiphenyl-3-YL)-1,2,5-thiadiazolidin-3-one 1,1-dioxide
(7R,8R)-Agi-B4
A member of the class of xanthones that is methyl (1S)-2,9-dihydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 2 and 8, a hydroxymethyl group at position 6 and an oxo group at position 9. It has been isolated from the sea fan derived fungus Aspergillus sydowii.
Flutemazepam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
2-Hydroxy-6-[2-(3,4-dihydroxyphenyl-5-methoxy)-2-oxoethyl]benzoic acid
A monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 2 and a 2-(3,4-dihydroxy-5-methoxyphenyl)-2-oxoethyl group at position 6. It has been isolated from the roots of Scorzonera judaica.
N,N-(p-Xylylidene)bisaminoguanidine dihydrochloride
2-Chloro-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
2-Acetyl-3,4,8-trihydroxy-7-methoxybenzo[f][1]benzofuran-5,6-dione
1-((4-Nitrophenyl)sulfonyl)-1H-benzimidazol-2-amine
N-[(4-chlorobenzyl)oxy]-N-thieno[2,3-d]pyrimidin-4-yliminoformamide
N-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl}-N,N-dimethyliminoformamide
Benzo(1,2-b:4,5-b)bis(1)benzothiophene, 6,12-dimethyl-
1-[(2-Amino-4-chloro-5-methylphenyl)sulfonyl]-L-proline
(5S)-3-Anilino-5-(2,4-difluorophenyl)-5-methyl-1,3-oxazolidine-2,4-dione
90-18-6
D004791 - Enzyme Inhibitors Quercetagetin (6-Hydroxyquercetin) is a flavonoid[1]. Quercetagetin is a moderately potent and selective, cell-permeable pim-1 kinase inhibitor (IC50, 0.34 μM)[2]. Anti-inflammatory and anticancer properties. Quercetagetin (6-Hydroxyquercetin) is a flavonoid[1]. Quercetagetin is a moderately potent and selective, cell-permeable pim-1 kinase inhibitor (IC50, 0.34 μM)[2]. Anti-inflammatory and anticancer properties.
quercetagetin
2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4h-chromen-4-one, also known as 6-hydroxyquercetin or 3,3,4,5,6,7-hexahydroxyflavone, is a member of the class of compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Thus, 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4h-chromen-4-one is considered to be a flavonoid lipid molecule. 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4h-chromen-4-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4h-chromen-4-one can be synthesized from quercetin. 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4h-chromen-4-one is also a parent compound for other transformation products, including but not limited to, axillarin, eupatin, and patuletin. 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4h-chromen-4-one is a bitter tasting compound found in sweet orange, which makes 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4h-chromen-4-one a potential biomarker for the consumption of this food product. Quercetagetin (6-Hydroxyquercetin) is a flavonoid[1]. Quercetagetin is a moderately potent and selective, cell-permeable pim-1 kinase inhibitor (IC50, 0.34 μM)[2]. Anti-inflammatory and anticancer properties. Quercetagetin (6-Hydroxyquercetin) is a flavonoid[1]. Quercetagetin is a moderately potent and selective, cell-permeable pim-1 kinase inhibitor (IC50, 0.34 μM)[2]. Anti-inflammatory and anticancer properties.
2-(7-Hydroxy-11-methyl-2,9-dioxo-12,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-13-yl)acetic acid
2,7-dihydroxy-5-[(4-hydroxy-6-oxopyran-2-yl)methyl]-2-methyl-3H-chromen-4-one
8-Hydroxy-1-(1-hydroxyethyl)-5,7-dimethoxynaphtho[2,3-c]furan-4,9-dione
2,7-dihydroxy-2-[(4-hydroxy-6-oxopyran-2-yl)methyl]-5-methyl-3H-chromen-4-one
3-deoxy-8-O-phosphono-alpha-D-manno-oct-2-ulopyranosonic acid
5,6,6-Trihydroxy-5-methoxy[biphenyl]-3,3-dicarboxylate
[4-(6-methylheptanoyl)-5-oxo-2H-furan-3-yl]methyl phosphate
1,6-Dihydroxy-3-methyl-7,9-dimethoxy-1H-naphtho[2,3-c]pyran-5,10-dione
3,6,8,9-Tetrahydroxy-3-methyl-1-oxo-2,4-dihydroanthracene-2-carboxylic acid
[(2S,3S,4S,5R,6S)-6-[(2S)-2,3-dihydroxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
cylindol A
A benzoate ester that is methyl 4-hydroxybenzoate bearing a 2-hydroxy-5-(methoxycarbonyl)phenoxy group at position 3. It is isolated from the rhizomes of Imperata cylindrica and has been found to exhibit inhibitory activity against 5-lipoxygenase.
Hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphinate
3-[[(3-Acetylanilino)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
2-[[2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]benzoic acid
1-(2-Chlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
methyl (4R,4aS)-4,8-dihydroxy-6-(hydroxymethyl)-9-oxo-4,9-dihydro-4aH-xanthene-4a-carboxylate
N-(5-chloro-2-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
2-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid
(1Z)-2-(4-chlorophenyl)-N-[(3-methoxybenzoyl)oxy]ethanimidamide
3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid 5-phosphate
3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid 4-phosphate
3-(4-chlorobenzenesulfonyl)oxymethyl-5,5-dimethyldihydro-2(3H)-furanone
2-(2,4-Dihydroxyphenyl)-3,5,6,7-tetrahydroxychromen-4-one
2-fluoro-N-(8-hydroxy-5-quinolinyl)benzenesulfonamide
(11E)-11-diazo-4,9-dihydroxy-2-methylbenzo[b]fluorene-5,10-dione
2-[(2-methylphenyl)amino]-N-[(5-nitro-2-thienyl)methylene]acetohydrazide
[(2S,3S,4S,5R,6S)-6-[(2R)-2,3-bis(oxidanyl)propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
5,6,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
5,6,7-Trihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
1,1-Dimethyl-4-phenylpiperazinium iodide
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D005731 - Ganglionic Stimulants D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists
8-phospho-3-deoxy-D-manno-oct-2-ulosonic acid
A ketoaldonic acid phosphate consisting of 3-deoxy-D-manno-oct-2-ulosonic acid having a phospho group at the 8-position.
N-(5-phosphonatopyridoxyl)-D-alaninate(2-)
Dianion of N-(5-phosphopyridoxyl)-D-alanine having anionic carboxy, hydroxy and phosphate groups and the secondary amino group and pyridine nitrogen protonated.
N-(5-phosphonatopyridoxyl)-L-alaninate(2-)
An organophosphate oxoanion that is the dianion of N-(5-phosphopyridoxyl)-L-alanine having anionic carboxy, hydroxy and phosphate groups with the secondary amino group and pyridine nitrogen protonated.
[4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate(2-)
A (4-alkanoyl-5-oxo-2,5-dihydrofuran-3-yl)methyl phosphate(2-) obtained by deprotonation of the phosphate OH groups of [4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate; major species at pH 7.3.
(2r,3r)-2-(3,5-dihydroxy-4-methoxyphenyl)-3,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
4-(2-carboxyeth-1-en-1-yl)-1,2,8-trihydroxy-9-oxobenzo[7]annulene-6-carboxylic acid
(2r,3r)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-2,3-dihydro-1-benzopyran-4-one
methyl 5,9-dihydroxy-2-methyl-4,6-dioxopyrano[3,4-g]chromene-8-carboxylate
methyl 6-hydroxy-7-methoxy-3-methyl-10-oxo-1h-pyrano[4,3-b]chromene-9-carboxylate
8-hydroxy-1-[(1r)-1-hydroxyethyl]-5,7-dimethoxynaphtho[2,3-c]furan-4,9-dione
(3s)-3,5,7-trihydroxy-3-(3-hydroxy-4-methoxyphenyl)-2h-1-benzopyran-4-one
[(1r,10s,11s,13r)-7-hydroxy-11-methyl-2,9-dioxo-12,15-dioxatetracyclo[8.4.1.0¹,¹⁰.0³,⁸]pentadeca-3,5,7-trien-13-yl]acetic acid
2-(2,4-dihydroxy-6-methylbenzoyloxy)-4-hydroxy-6-methylbenzoic acid
2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-8-methoxy-2,3-dihydro-1-benzopyran-4-one
1-chloro-2,4-dihydroxy-5-methoxy-7-methylanthracene-9,10-dione
methyl (4s,5r)-4,7-dihydroxy-9-methyl-6-oxo-4h,5h-oxepino[2,3-b]chromene-5-carboxylate
(2s,7'r)-5-hydroxy-3-oxospiro[1-benzofuran-2,1'-cycloheptan]-3'-ene-3',7'-dicarboxylic acid
2-hydroxy-4-methoxy-6-(4-methoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)benzoic acid
methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,6-dihydroxybenzoate
8-chloro-5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one
(2s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy-2,3-dihydro-1-benzopyran-4-one
(1r)-5,10-dihydroxy-1,7-dimethoxy-3-methyl-1h-cyclohexa[g]isochromene-6,9-dione
1,2,4,6,8-pentahydroxyxanthone
{"Ingredient_id": "HBIN000633","Ingredient_name": "1,2,4,6,8-pentahydroxyxanthone","Alias": "NA","Ingredient_formula": "C16H14O7","Ingredient_Smile": "NA","Ingredient_weight": "318.282","OB_score": "NA","CAS_id": "145523-72-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9607","PubChem_id": "NA","DrugBank_id": "NA"}
1,3-dihydroxy-2,4,7-trimethoxyxanthone
{"Ingredient_id": "HBIN001177","Ingredient_name": "1,3-dihydroxy-2,4,7-trimethoxyxanthone","Alias": "NA","Ingredient_formula": "C16H14O7","Ingredient_Smile": "COC1=CC2=C(C=C1)OC3=C(C2=O)C(=C(C(=C3OC)O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6163","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,7-dihydroxy-3,4,8- trimethoxy xanthones
{"Ingredient_id": "HBIN002013","Ingredient_name": "1,7-dihydroxy-3,4,8- trimethoxy xanthones","Alias": "NA","Ingredient_formula": "C16H14O7","Ingredient_Smile": "COC1=C(C2=C(C(=C1)O)C(=O)C3=C(O2)C=CC(=C3OC)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "43027","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2',3,5,5',7-pentahydroxyflavanone; (2r,3r)-form,5'-me ether
{"Ingredient_id": "HBIN003910","Ingredient_name": "2',3,5,5',7-pentahydroxyflavanone; (2r,3r)-form,5'-me ether","Alias": "NA","Ingredient_formula": "C16H14O7","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8976","PubChem_id": "NA","DrugBank_id": "NA"}
