Exact Mass: 316.0592
Exact Mass Matches: 316.0592
Found 500 metabolites which its exact mass value is equals to given mass value 316.0592,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Byakangelicol
Byakangelicol is a member of the class of compounds known as 5-methoxypsoralens. 5-methoxypsoralens are psoralens containing a methoxy group attached at the C5 position of the psoralen group. Byakangelicol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Byakangelicol can be found in lemon, which makes byakangelicol a potential biomarker for the consumption of this food product. Byakangelicol is a member of psoralens. Byakangelicol is a natural product found in Murraya koenigii, Ostericum grosseserratum, and other organisms with data available. Byakangelicol, isolated from Angelica dahurica, inhibits interleukin-1beta (IL-1beta) -induced prostaglandin E2 (PGE2) release in A549 cells mediated by suppression of cyclooxygenase-2 (COX-2) expression and the activity of COX-2 enzyme. Byakangelicol has therapeutic potential as an anti-inflammatory agent on airway inflammation[1]. Byakangelicol, isolated from Angelica dahurica, inhibits interleukin-1beta (IL-1beta) -induced prostaglandin E2 (PGE2) release in A549 cells mediated by suppression of cyclooxygenase-2 (COX-2) expression and the activity of COX-2 enzyme. Byakangelicol has therapeutic potential as an anti-inflammatory agent on airway inflammation[1].
Capillarisin
Capillarisin is a member of coumarins. Capillarisin is a natural product found in Artemisia capillaris with data available.
Isorhamnetin
3,4,5,7-tetrahydroxy-3-methoxyflavone is a tetrahydroxyflavone having the 4-hydroxy groups located at the 3- 4- 5- and 7-positions as well as a methoxy group at the 2-position. It has a role as a metabolite and an antimicrobial agent. It is a tetrahydroxyflavone and a monomethoxyflavone. It is functionally related to a quercetin. It is a conjugate acid of a 3,4,5-trihydroxy-3-methoxyflavon-7-olate. 3-O-Methylquercetin is a natural product found in Lotus ucrainicus, Wollastonia biflora, and other organisms with data available. See also: Tobacco Leaf (part of). 3-O-Methylquercetin (3-MQ), a main constituent of Rhamnus nakaharai, inhibits total cAMP and cGMP-phosphodiesterase (PDE) of guinea pig trachealis. 3-O-Methylquercetin (3-MQ) exhibits IC50 values ranging from 1.6-86.9 μM for PDE isozymes (PDE1-5)[1]. 3-O-Methylquercetin (3-MQ), a main constituent of Rhamnus nakaharai, inhibits total cAMP and cGMP-phosphodiesterase (PDE) of guinea pig trachealis. 3-O-Methylquercetin (3-MQ) exhibits IC50 values ranging from 1.6-86.9 μM for PDE isozymes (PDE1-5)[1].
Neobyakangelicol
Neobyakangelicol is a member of the class of compounds known as 5-methoxypsoralens. 5-methoxypsoralens are psoralens containing a methoxy group attached at the C5 position of the psoralen group. Neobyakangelicol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Neobyakangelicol can be found in lemon, which makes neobyakangelicol a potential biomarker for the consumption of this food product. Neobyakangelicol is a member of psoralens. Neobyakangelicol is a natural product found in Murraya koenigii, Angelica japonica, and other organisms with data available.
Isobyakangelicol
Isobyakangelicol is a member of psoralens. Isobyakangelicol is a natural product found in Murraya koenigii and Angelica dahurica var. formosana with data available.
Isorhamnetin
Isorhamnetin is the methylated metabolite of quercetin. Quercetin is an important dietary flavonoid with in vitro antioxidant activity. However, it is found in human plasma as conjugates with glucuronic acid, sulfate or methyl groups, with no significant amounts of free quercetin present. Isorhamnetin prevents endothelial cell injuries from oxidized LDL via inhibition of lectin-like ox-LDL receptor-1 upregulation, interference of ox-LDL-mediated intracellular signaling pathway (p38MAPK activation, NF-kappaB nuclear translocation, eNOS expression) and the antioxidant activity of isorhamnetin. Isorhamnetin prevents endothelial dysfunction, superoxide production, and overexpression of p47phox induced by angiotensin II. Isorhamnetin appears to be a potent drug against esophageal cancer due to its in vitro potential to not only inhibit proliferation but also induce apoptosis of Eca-109 cells. (PMID: 15493462, 17368593, 17374653, 16963021). Isorhamnetin is a monomethoxyflavone that is quercetin in which the hydroxy group at position 3 is replaced by a methoxy group. It has a role as an EC 1.14.18.1 (tyrosinase) inhibitor, an anticoagulant and a metabolite. It is a 7-hydroxyflavonol, a tetrahydroxyflavone and a monomethoxyflavone. It is functionally related to a quercetin. It is a conjugate acid of an isorhamnetin(1-). Isorhamnetin is a natural product found in Lotus ucrainicus, Strychnos pseudoquina, and other organisms with data available. Isorhamnetin is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Peumus boldus leaf (part of). Widespread flavonol found especially in bee pollen, chives, corn poppy leaves, garden cress, fennel, hartwort, red onions, pears, dillweed, parsley and tarragon. Isorhamnetin is found in many foods, some of which are italian sweet red pepper, carrot, yellow wax bean, and lemon balm. A monomethoxyflavone that is quercetin in which the hydroxy group at position 3 is replaced by a methoxy group. Acquisition and generation of the data is financially supported in part by CREST/JST. Isorhamnetin is a flavonoid compound extracted from the Chinese herb Hippophae rhamnoides L.. Isorhamnetin suppresses skin cancer through direct inhibition of MEK1 and PI3K. Isorhamnetin is a flavonoid compound extracted from the Chinese herb Hippophae rhamnoides L.. Isorhamnetin suppresses skin cancer through direct inhibition of MEK1 and PI3K.
Rhamnetin
Acquisition and generation of the data is financially supported in part by CREST/JST. Rhamnetin is a quercetin derivative found in Coriandrum sativum, inhibits secretory phospholipase A2, with antioxidant and anti-inflammatory activity[1]. Rhamnetin is a quercetin derivative found in Coriandrum sativum, inhibits secretory phospholipase A2, with antioxidant and anti-inflammatory activity[1]. Rhamnetin is a quercetin derivative found in Coriandrum sativum, inhibits secretory phospholipase A2, with antioxidant and anti-inflammatory activity[1].
Tamarixetin
Tamarixetin is a monomethoxyflavone that is quercetin methylated at position O-4. Isolated from Cyperus teneriffae. It has a role as a metabolite and an antioxidant. It is a 7-hydroxyflavonol, a monomethoxyflavone and a tetrahydroxyflavone. It is functionally related to a quercetin. Tamarixetin is a natural product found in Ageratina altissima, Chromolaena odorata, and other organisms with data available. See also: Trifolium pratense flower (part of). A monomethoxyflavone that is quercetin methylated at position O-4. Isolated from Cyperus teneriffae. Tamarixetin (4'-O-Methyl Quercetin) is a natural flavonoid derivative of quercetin, with anti-oxidative and anti-inflammatory effects. Tamarixetin protects against cardiac hypertrophy[1][2]. Tamarixetin (4'-O-Methyl Quercetin) is a natural flavonoid derivative of quercetin, with anti-oxidative and anti-inflammatory effects. Tamarixetin protects against cardiac hypertrophy[1][2].
Azaleatin
Azaleatin is a monomethoxyflavone that is quercetin in which the hydroxy group at position 5 is replaced by a methoxy group. It has a role as a plant metabolite. It is a 7-hydroxyflavonol, a tetrahydroxyflavone and a monomethoxyflavone. It is functionally related to a quercetin. Azaleatin is a natural product found in Rhododendron mucronulatum, Senna lindheimeriana, and other organisms with data available. A monomethoxyflavone that is quercetin in which the hydroxy group at position 5 is replaced by a methoxy group. Azaleatin is an O-methylated flavonol isolated from Rhododendron species. Azaleatin is a dipeptidyl peptidase-IV inhibitor. Azaleatin can be used for the research of type-2 diabetes and obesity[1][2]. Azaleatin is an O-methylated flavonol isolated from Rhododendron species. Azaleatin is a dipeptidyl peptidase-IV inhibitor. Azaleatin can be used for the research of type-2 diabetes and obesity[1][2].
2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
Pedalitin is a tetrahydroxy-monohydroxy-flavone, with the four hydroxy groups at C-3,-4,-5 and 6, and the methoxy group at C-7. It has been isolated from a number of plant species, including Eremosparton songoricum, Rabdosia japonica and Ruellia tuberosa. It has a role as an EC 1.17.3.2 (xanthine oxidase) inhibitor and a metabolite. It is a tetrahydroxyflavone and a monomethoxyflavone. Pedalitin is a natural product found in Teucrium hircanicum, Tanacetum vulgare, and other organisms with data available. A tetrahydroxy-monohydroxy-flavone, with the four hydroxy groups at C-3,-4,-5 and 6, and the methoxy group at C-7. It has been isolated from a number of plant species, including Eremosparton songoricum, Rabdosia japonica and Ruellia tuberosa. 2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one is found in fats and oils. 2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one is isolated from Sesamum indicum (sesame Isolated from Sesamum indicum (sesame). 2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one is found in fats and oils and sesame.
Cajanol
Isolated from fungus-infected stems of Cajanus cajan (pigeon pea). Cajanol is found in pigeon pea and pulses. Cajanol is found in pigeon pea. Cajanol is isolated from fungus-infected stems of Cajanus cajan (pigeon pea
Homoferreirin
Homoferreirin is found in chickpea. Homoferreirin is isolated from Cicer arietinum (chickpea Isolated from Cicer arietinum (chickpea). Homoferreirin is found in chickpea and pulses.
2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile
4,6-Dihydroxy-5,7-dimethoxyflavanone
3',5-Dihydroxy-4',7-dimethoxyflavanone
3,5-Dihydroxy-4,7-dimethoxyflavanone is an ether and a member of flavonoids. Persicogenin is a natural product found in Chromolaena odorata, Vitex trifolia, and other organisms with data available. 3,5-Dihydroxy-4,7-dimethoxyflavanone is found in peach. 3,5-Dihydroxy-4,7-dimethoxyflavanone is isolated from Persica vulgaris (peach). Isolated from Persica vulgaris (peach). Persicogenin is found in peach. Persicogenin, isolated from Rhus retinorrhoea, possesses anti-cancer activity[1]. Persicogenin, isolated from Rhus retinorrhoea, possesses anti-cancer activity[1].
Melilotocarpan E
Melilotocarpan E is found in herbs and spices. Melilotocarpan E is from Melilotus alba (white melilot). From Melilotus alba (white melilot). Melilotocarpan E is found in herbs and spices and pulses.
2-S-cysteinyl-DOPA
2-S-cysteinyl-DOPA, also known as 2-S-Cysteinyl-3,4-dihydroxyphenylalanine or 2-S-Cysteinyldopa, is classified as a tyrosine or a Tyrosine derivative. Tyrosines are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 2-S-cysteinyl-DOPA is considered to be slightly soluble (in water) and acidic
5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-4-chromanone
5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-4-chromanone is found in herbs and spices. 5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-4-chromanone is from Muscari comosum (tassel hyacinth). From Muscari comosum (tassel hyacinth). 5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-4-chromanone is found in herbs and spices.
Olivin
Olivin is found in olive. Claimed to be isolated from olive leaves Olea europaea, along with a glucoside, but this could not be substantiated. Claimed to be isolated from olive leaves Olea europaea, along with a glucoside, but this could not be substantiated. Olivin is found in olive.
1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone
1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone is found in fruits. 1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone is isolated from Diospyros discolor (mabolo). Isolated from Diospyros discolor (mabolo). 1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone is found in fruits.
5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone
5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone is found in herbs and spices. 5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone is isolated from Muscari comosum (tassel hyacinth). Isolated from Muscari comosum (tassel hyacinth). 5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone is found in herbs and spices.
3-(3,4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone
3-(3,4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone is found in herbs and spices. 3-(3,4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone is a constituent of Muscari species. Constituent of Muscari subspecies 3-(3,4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone is found in herbs and spices.
Artocarpanone A
Artocarpanone A is found in fruits. Artocarpanone A is a constituent of the roots of Artocarpus heterophyllus (jackfruit). Constituent of the roots of Artocarpus heterophyllus (jackfruit). Artocarpanone A is found in fruits.
3,4',5,7-Tetrahydroxy-6-methoxyflavone
Constituent of the buds of the wild cherry Prunus avium. 3,4,5,7-Tetrahydroxy-6-methoxyflavone is found in many foods, some of which are safflower, sweet cherry, fruits, and german camomile. 3,4,5,7-Tetrahydroxy-6-methoxyflavone is found in fruits. 3,4,5,7-Tetrahydroxy-6-methoxyflavone is a constituent of the buds of the wild cherry Prunus avium
Pollenitin
Pollenitin is found in tea. Pollenitin is isolated from the pollen of Camellia sinensis (tea). Isolated from the pollen of Camellia sinensis (tea). Pollenitin is found in tea.
5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Khrinone B
Khrinone B belongs to the class of organic compounds known as 3-hydroxy,4-methoxyisoflavonoids. These are isoflavonoids carrying a methoxy group attached to the C4 atom, as well as a hydroxyl group at the C3-position of the isoflavonoid backbone. BioTransformer predicts that khrinone B is a product of pratensein metabolism via a hydroxylation-of-benzene-para-to-edg reaction catalyzed by CYP1A2, CYP2C9, and CYP2D6 enzymes (PMID: 30612223).
Melilotocarpan D
Melilotocarpan D is found in herbs and spices. Melilotocarpan D is from Melilotus alba (white melilot). From Melilotus alba (white melilot). Melilotocarpan D is found in herbs and spices and pulses.
4',7-Dihydroxy-2',5-dimethoxyisoflavanone
4,7-Dihydroxy-2,5-dimethoxyisoflavanone is found in pulses. 4,7-Dihydroxy-2,5-dimethoxyisoflavanone is isolated from Phaseolus coccineus (scarlet runner bean). Isolated from Phaseolus coccineus (scarlet runner bean). 4,7-Dihydroxy-2,5-dimethoxyisoflavanone is found in pulses and scarlet bean.
4'-Hydroxyclobazam
4-Hydroxyclobazam is a metabolite of clobazam. Clobazam (marketed under the brand names Frisium, Urbanol and Onfi), is a drug which is a benzodiazepine derivative. It has been marketed as an anxiolytic since 1975 and an anticonvulsant since 1984. (Wikipedia)
5-S-Cysteinyl-D-dopa
2,7-Difluoro-4-methoxyspiro[fluorene-9,5'-imidazolidine]-2',4'-dione
4-(4-Fluorobenzyl)-2-p-tolyl-1,2,4-thiadiazolidine-3,5-dione
Febuxostat
M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AA - Preparations inhibiting uric acid production D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor C26170 - Protective Agent > C921 - Uricosuric Agent
Isatoribine
(6-Aminoquinolin-2-yl) N-(2,5-dihydroxypyrrol-1-yl)-N-hydroxycarbamate
9-(6-Methylsulfanylpurin-9-yl)-3H-purine-6-thione
Protocatechuic acid 4-glucoside
Protocatechuic acid 4-glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Protocatechuic acid 4-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Protocatechuic acid 4-glucoside can be found in a number of food items such as rosemary, jostaberry, rubus (blackberry, raspberry), and highbush blueberry, which makes protocatechuic acid 4-glucoside a potential biomarker for the consumption of these food products.
nepetin
Eupafolin, also known as 6-methoxy 5 or 734-tetrahydroxyflavone, is a member of the class of compounds known as 6-o-methylated flavonoids. 6-o-methylated flavonoids are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone. Thus, eupafolin is considered to be a flavonoid lipid molecule. Eupafolin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Eupafolin can be found in common sage, lemon verbena, rosemary, and sesame, which makes eupafolin a potential biomarker for the consumption of these food products. 6-Methoxyluteolin is a natural product found in Eupatorium album, Eupatorium altissimum, and other organisms with data available. See also: Arnica montana Flower (has part). Nepetin (6-Methoxyluteolin) is a natural flavonoid isolated from Eupatorium ballotaefolium HBK with potent anti-inflammatory activities. Nepetin inhibits IL-6, IL-8 and MCP-1 secretion with IC50 values of 4.43 μM, 3.42 μM and 4.17 μM, respectively in ARPE-19 cells[1][2]. Nepetin (6-Methoxyluteolin) is a natural flavonoid isolated from Eupatorium ballotaefolium HBK with potent anti-inflammatory activities. Nepetin inhibits IL-6, IL-8 and MCP-1 secretion with IC50 values of 4.43 μM, 3.42 μM and 4.17 μM, respectively in ARPE-19 cells[1][2].
1?2?3?7-tetramethoxyxanthone
1,2,3,7-Tetramethoxyxanthone is a natural product found in Polygala tenuifolia and Bupleurum scorzonerifolium with data available.
5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)chroman-4-one
5-(1,2-Diacetoxyethyl)-2-(E)-hept-5-ene-1,3-diynylthiophene
7,4-Dihydroxy-8,3-dimethoxyflavanone
A dihydroxyflavanone having the two hydroxy groups located at the C-4 and -7 positions and two additional methoxy substituent at the C-3 and 8-positions.
Piscerygenin
Piscerygenin is a natural product found in Piscidia piscipula with data available.
Rhamnose
Rhamnetin is a quercetin derivative found in Coriandrum sativum, inhibits secretory phospholipase A2, with antioxidant and anti-inflammatory activity[1]. Rhamnetin is a quercetin derivative found in Coriandrum sativum, inhibits secretory phospholipase A2, with antioxidant and anti-inflammatory activity[1]. Rhamnetin is a quercetin derivative found in Coriandrum sativum, inhibits secretory phospholipase A2, with antioxidant and anti-inflammatory activity[1].
3-Methoxy-6,7,3,4-tetrahydroxyflavone
7-Methoxy-3,6,3,4-tetrahydroxyflavone
3-O-methylquercetin
Quercetin 3-methyl ether, also known as 3,4,5,7-tetrahydroxy-3-methoxyflavone or isorhamnetin, is a member of the class of compounds known as 3-o-methylated flavonoids. 3-o-methylated flavonoids are flavonoids with methoxy groups attached to the C3 atom of the flavonoid backbone. Thus, quercetin 3-methyl ether is considered to be a flavonoid lipid molecule. Quercetin 3-methyl ether is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Quercetin 3-methyl ether can be synthesized from quercetin. Quercetin 3-methyl ether can also be synthesized into 3-O-methylquercetin 7-O-beta-glucopyranosyl-4-O-beta-D-glucopyranoside. Quercetin 3-methyl ether can be found in common bean, which makes quercetin 3-methyl ether a potential biomarker for the consumption of this food product. 3-O-Methylquercetin (3-MQ), a main constituent of Rhamnus nakaharai, inhibits total cAMP and cGMP-phosphodiesterase (PDE) of guinea pig trachealis. 3-O-Methylquercetin (3-MQ) exhibits IC50 values ranging from 1.6-86.9 μM for PDE isozymes (PDE1-5)[1]. 3-O-Methylquercetin (3-MQ), a main constituent of Rhamnus nakaharai, inhibits total cAMP and cGMP-phosphodiesterase (PDE) of guinea pig trachealis. 3-O-Methylquercetin (3-MQ) exhibits IC50 values ranging from 1.6-86.9 μM for PDE isozymes (PDE1-5)[1].
Oryzafuran
A member of the class of 1-benzofurans that is 1-benzofuran substituted by hydroxy groups at positions 4 and 6, a 3,4-dihydroxyphenyl group at position 2 and a methoxy carbonyl at position 3. Isolated from black colored rice bran of Oryza sativa, it exhibits antioxidant activity.
Pinoquercetin
A pentahydroxyflavone that is quercetin substituted by a methyl group at position 6.
Isorhamnetin
Glucoside present in the leaves of Peumus boldus (boldo). Isorhamnetin 3-dirhamnoside is found in fruits. Annotation level-1 Isorhamnetin is a flavonoid compound extracted from the Chinese herb Hippophae rhamnoides L.. Isorhamnetin suppresses skin cancer through direct inhibition of MEK1 and PI3K. Isorhamnetin is a flavonoid compound extracted from the Chinese herb Hippophae rhamnoides L.. Isorhamnetin suppresses skin cancer through direct inhibition of MEK1 and PI3K.
3-(4-BROMOPHENYL)-N,N-DIMETHYL-3-(3-PYRIDINYL)-2-PROPEN-1-AMINE
N2-(2-Thienylcarbonyl)-5-(1-hexynyl)-2-furancarbohydrazide
1-O-(2,5-Dihydroxy-benzoyl)-beta-D-glucopyranose|O1-Gentisoyl-beta-D-glucopyranose
2-O-(3,4,5-Trihydroxybenzoyl)-scyllo-Quercitol|2-O-galloyl-scyllo-quercitol
3-Methyl-5,7-dimethoxy-10-hydroxy-1H-naphtho[2,3-c]pyran-1,6,9-trione
protocatechuic acid 3-O-beta-D-glucopyranoside|protocatechuic acid 3-O-beta-D-glucopyranoside|protocatechuic acid-3-glucoside
2-(beta-D-glucopyranosyloxy)-3-hydroxybenzoic acid|2-(beta-D-glucopyranosyloxy)-6-hydroxy benzoic acid
5,7,4,5-tetrahydroxy-2-methoxyisoflavone|dalparvone B
4-O-beta-D-Glucopyranoside-3,4,5-Trihydroxybenzaldehyde
1,3,5,6-tetrahydroxy-2-(methoxymethyl)-9,10-anthraquinone|5,6-dihydroxylucidin-11-O-methyl ether
(E)-3-(2,3,4,5-tetrahydroxybenzylidene)-2,3-dihydro-7-hydroxychromen-4-one|caesalpiniaphenol G
(2Z,4E,5aZ)-methyl 7-hydroxy-9-methyl-6-oxo-6H-oxepino[2,3-b]chromene-5-carboxylate|microsphaeropsone C
2,5-dihydroxy-8-methoxy-6-methyl-9-oxo-9h-xanthene -1-carboxylic acid
5,7-dihydroxy-6-methoxy-2-(2,4-dihydroxyphenyl)-4H-1-benzopyran-4-one
7-Me ether-1,3,5,7,8-Pentahydroxy-2-methylanthraquinone
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-methyl-4H-chromen-4-one
SYDOWININ B
A member of the class of xanthones that is methyl 9H-xanthene-1-carboxylate substituted by hydroxy group 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.
Anthraquinone, 1,2,6,7-tetrahydroxy-8-methoxy-3-methyl-
5-but-3-en-1-ynyl-5-isobutyryloxymethyl-[2,2]bithiophenyl
1,3,6,8-tetrahydroxy-2-(1-hydroxyethyl)anthracene-9,10-dione
OPHIOGLONOL
A hydroxy homoflavonoid that is 2-phenyl-4H-chromen-4-one substituted by hydroxy groups at positions 5, 7, 3 and 4 and a hydroxymethyl group at position 3. It is isolated from the whole plant of Ophioglossum pedunculosum.
1,2,3,7-Tetrahydroxy-8-methoxy-6-methyl-9,10-anthraquinone
Rhamnetin
Rhamnetin is a monomethoxyflavone that is quercetin methylated at position 7. It has a role as a metabolite, an antioxidant and an anti-inflammatory agent. It is a monomethoxyflavone and a tetrahydroxyflavone. It is functionally related to a quercetin. It is a conjugate acid of a rhamnetin-3-olate. Rhamnetin is a natural product found in Ageratina altissima, Ammannia auriculata, and other organisms with data available. A monomethoxyflavone that is quercetin methylated at position 7. 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4h-chromen-4-one, also known as 7-methoxyquercetin or quercetin 7-methyl ether, 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-dihydroxy-7-methoxy-4h-chromen-4-one is considered to be a flavonoid lipid molecule. 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-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-dihydroxy-7-methoxy-4h-chromen-4-one can be found in a number of food items such as tea, apple, sweet orange, and parsley, which makes 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4h-chromen-4-one a potential biomarker for the consumption of these food products. Rhamnetin is a quercetin derivative found in Coriandrum sativum, inhibits secretory phospholipase A2, with antioxidant and anti-inflammatory activity[1]. Rhamnetin is a quercetin derivative found in Coriandrum sativum, inhibits secretory phospholipase A2, with antioxidant and anti-inflammatory activity[1]. Rhamnetin is a quercetin derivative found in Coriandrum sativum, inhibits secretory phospholipase A2, with antioxidant and anti-inflammatory activity[1].
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one
1,3,6,8-tetrahydroxy-2-(methoxymethyl)anthracene-9,10-dione
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methylchromen-4-one
SPA-5DC (TENTATIVE)
TENTATIVELY IDENTIFIED SPECTRUM ONLY!!!!!!!!!; Extracted (without noise removal) from HAL_N: mz315_05_rt4_87_HCD60_SPA-5DC; CONFIDENCE Tentative identification: isomers possible (Level 3)
1,3,5,8-tetrahydroxy-6-methoxy-2-methylanthraquinone
Sulfamide, [4-(trifluoromethyl)[1,1-biphenyl]-3-yl]- (9CI)
2-[[(Trifluoromethyl)sulfonyl]oxy]-1-cycloheptene-1-carboxylic acid ethyl ester
2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Benzenesulfonamide, 4-amino-N-[3-(trifluoromethyl)phenyl]-
4-AMINO-1-N-BOC-5,7-DICHLORO-1,2,3,4-TETRAHYDROQUINOLINE
(7-Bromo-9,9-dimethyl-9H-fluoren-2-yl)boronic acid
(3-BROMO-4-METHOXYPHENOXY)(TERT-BUTYL)DIMETHYLSILANE
(5-BROMO-2-METHOXYPHENOXY)(TERT-BUTYL)DIMETHYLSILANE
Methyl 3-chloro-2-(4-fluorophenyl)-6-quinoxalinecarboxylate
5-[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
6-((tert-Butyldimethylsilyloxy)methyl)-2,3-dimethoxypyridine
1,6-Anhydro-4-O-p-toluenesulfonyl-β-D-glucopyranose
Ethyl 2-(4-chlorophenyl)-5-hydroxy-1-benzofuran-3-carboxylate
Bis(Tetramethylene)Fluoroformamidinium Hexafluorophosphate
Ethyl 2-(1,3-benzothiazol-2-ylamino)-6-oxo-1,6-dihydro-5-pyrimidi necarboxylate
2-Chloro-N-[4-(piperidine-1-sulfonyl)-phenyl]-acetamide
5-(1-Carboxyethyl)-2-(phenylthio)phenylacetic acid
ETHYL 4-METHYL-2-[5-(TRIFLUOROMETHYL)PYRID-2-YL]THIAZOLE-5-CARBOXYLATE 97
ETHYL 2-AMINO-4-(4-(TRIFLUOROMETHYL)PHENYL)THIAZOLE-5-CARBOXYLATE
(1-Tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid
1-anilinonaphthalene-8-sulfonic acid ammonium salt
Methyl-2-C-(trifluoromethyl)-alpha-D-ribofuranoside-3,5-diacetate
3-(N-2-fluorobenzoylcarbamimidoyl)-benzoic acid methyl ester
1-Piperazineethanol, 4-[(4-bromo-2-fluorophenyl)methyl]-
3-[(2-chlorophenyl)methyl]-7,7-dimethyl-6,8-dihydrochromene-2,5-dione
tert-butyl N-[2-[(2-chloro-3-nitropyridin-4-yl)amino]ethyl]carbamate
2-(1-benzofuran-3-yl)ethyl 4-methylbenzenesulfonate
2-CHLORO-1-[1-(TRIFLUOROMETHYL)-1,3,4,9-TETRAHYDRO-2H-BETA-CARBOLIN-2-YL]ETHAN-1-ONE
3-(BENZYLOXYCARBONYLAMINO)-5-NITROPHENYL]BORONIC ACID
4,4,5,5,6,6,6-Heptafluoro-1-phenyl-1,3-hexanedione
5-(beta-D-glucopyranosyloxy)-2-hydroxybenzoic acid
2-(beta-D-glucopyranosyloxy)-5-hydroxybenzoic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Spiro(9H-fluorene-9,4-imidazolidine)-2,5-dione, 2,7-difluoro-4-methoxy-
1-Fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-one
2-[[3-Cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid methyl ester
2-[[5-(2-Furanyl)-1,3,4-oxadiazol-2-yl]thio]-1-(2-methoxyphenyl)ethanone
4-{[(E)-(3-methoxyphenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol
(4aR,5S,8R)-9-(pyridin-3-yl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one
2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide
2-Chloro-3-pyridinecarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
Zimeldine
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators
(2R,3R,4R)-1-[(2R)-2,4-dihydroxy-3-(trioxido-lambda4-sulfanyl)oxybutyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol
Febuxostat
M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AA - Preparations inhibiting uric acid production D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor C26170 - Protective Agent > C921 - Uricosuric Agent
2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5-dihydroxychromen-7-one
1,3,5-Trihydroxy-2,4-dimethoxyanthracene-9,10-dione
(2S)-2-azaniumyl-3-[2-[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl-3,4-dihydroxyphenyl]propanoate
1-O-(2-Oxo-3-hydroxypropyl)-6-sulfo-6-deoxy-alpha-D-glucopyranose
N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
N-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide
2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoic acid
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-isoxazolecarboxamide
(4-Methyl-1-piperazinyl)-(2-thieno[3,2-b][1]benzothiolyl)methanone
N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
N-[(5-fluoro-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]acetamide
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
(3-Amino-4,6-dimethyl-2-thieno[2,3-b]pyridinyl)-(2-chlorophenyl)methanone
N-[2-(2-furyl)-1-(1-pyrrolidinylcarbonyl)vinyl]-2-thiophenecarboxamide
Furane-2-carbohydrazide, 5-(1-hexynyl)-N2-(2-thenoyl)-
2-Amino-7-methyl-4-phenyl-thieno[2,3-b;4,5-b]dipyridine-3-carbonitrile
3-Ethyl-5-(1-ethyl-1H-quinolin-2-ylidene)-2-thioxo-thiazolidin-4-one
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-quinolinecarboxamide
3-(4-Methoxyphenyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
2-[(1R,3S)-3-(7-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylcyclopropyl]acetonitrile
4-[[(4-Oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester
5-chloro-N-(3,4-dimethylphenyl)-2,1-benzothiazole-3-carboxamide
3-(1,3-Benzothiazol-2-yl)propanoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester
5-(Phenoxymethyl)-4-((2-thienylmethylene)amino)-4H-1,2,4-triazole-3-thiol
4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one
4-[1-[(3-Chlorophenyl)methylamino]ethylidene]-2-(2-furanyl)-5-oxazolone
N-(6-butyl-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide
4,8-Dihydroxy-6-(hydroxymethyl)-9-oxo-1-xanthenecarboxylic acid methyl ester
3,4,5-Trihydroxy-6-(2-hydroxy-6-methoxyphenoxy)oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-(2-hydroxy-3-methoxyphenoxy)oxane-2-carboxylic acid
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] butanoate
1,3,6,8-Tetrahydroxy-2-(methoxymethyl)anthracene-9,10-dione
Capillarisin
Capillarisin is a member of coumarins. Capillarisin is a natural product found in Artemisia capillaris with data available.
Sexangularetin
A 7-hydroxyflavonol that is kaempferol substituted by a methoxy group at position 8.
2,5-dihydroxybenzoic acid 5-O-beta-D-glucoside
A monohydroxybenzoic acid that is 2,5-dihydroxybenzoic acid in which the phenolic hydrogen at position 5 has been replaced by a beta-D-glucosyl residue.
2-S-cysteinyl-DOPA
An L-tyrosine derivative that is L-DOPA in which the hydrogen at position 2 on the phenyl ring is replaced by a cysteinyl group. Found in the urine of patients with melanoma.
2,5-dihydroxybenzoic acid 2-O-beta-D-glucoside
A monohydroxybenzoic acid that is 2,5-dihydroxybenzoic acid in which the phenolic hydrogen at position 2 has been replaced by a beta-D-glucosyl residue.
2-Amino-3-[[5-(2-amino-2-carboxyethyl)-2,3-dihydroxyphenyl]thio]propionic acid
3,5,7,8-Tetrahydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
3,4,5,7-Tetrahydroxy-3-methoxyflavone
A tetrahydroxyflavone having the 4-hydroxy groups located at the 3- 4- 5- and 7-positions as well as a methoxy group at the 2-position.
McN-A-343
McN-A-343 is a selective M1 muscarinic agonist that stimulates muscarinic transmission in sympathetic ganglia. McN-A-343 reduces inflammation and oxidative stress in an experimental model of ulcerative colitis[1][2]. McN-A-343 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
NSC 146109 (hydrochloride)
NSC 146109 hydrochloride is a small-molecule p53 activator that target MDMX and can be used for breast cancer research. NSC 146109 hydrochloride is a pseudourea derivative, promotes breast cancer cells to undergo apoptosis through activating p53 and inducing expression of proapoptotic genes[1].
4,15-dihydroxy-6-(hydroxymethyl)-13-methoxy-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-2,10-dione
5-hydroxy-2-{[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
methyl 8-hydroxy-6-(hydroxymethyl)-9-oxo-1ah-oxireno[2,3-a]xanthene-9b-carboxylate
(2s,3r,5r,6s)-2,3,5,6-tetrahydroxycyclohexyl 3,4,5-trihydroxybenzoate
(11r)-11-(2,3-dihydroxyphenyl)-2-hydroxy-4,6,10-trioxatricyclo[7.4.0.0³,⁷]trideca-1,3(7),8-trien-13-one
1-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione
[(2r,3s,4r,5s)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one
1,3,4,5-tetrahydroxy-7-methoxy-2-methylanthracene-9,10-dione
2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
11-hydroxy-10-[hydroxy(methoxy)methylidene]-8-methyloxepino[4,5-b]chromene-1,2-dione
(1r)-2-(acetyloxy)-1-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}ethyl acetate
2-hydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
8-bromo-9-chloro-1,2,5,9-tetramethylspiro[5.5]undeca-1,4-diene
1-o-galloyl-α-l-rhamnose
{"Ingredient_id": "HBIN002908","Ingredient_name": "1-o-galloyl-\u03b1-l-rhamnose","Alias": "NA","Ingredient_formula": "C13H16O9","Ingredient_Smile": "CC1C(C(C(C(O1)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8117","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-Methoxy-quercetin
{"Ingredient_id": "HBIN008856","Ingredient_name": "3-Methoxy-quercetin","Alias": "NA","Ingredient_formula": "C16H12O7","Ingredient_Smile": "COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35493","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4'-dihydroxywogonin
{"Ingredient_id": "HBIN010328","Ingredient_name": "4'-dihydroxywogonin","Alias": "NA","Ingredient_formula": "C16H12O7","Ingredient_Smile": "COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25865","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,7,3',4'-tetrahydroxy-6-methoxyflavone
{"Ingredient_id": "HBIN011187","Ingredient_name": "5,7,3',4'-tetrahydroxy-6-methoxyflavone","Alias": "NA","Ingredient_formula": "C16H12O7","Ingredient_Smile": "COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32037","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
