Exact Mass: 312.0584952
Exact Mass Matches: 312.0584952
Found 500 metabolites which its exact mass value is equals to given mass value 312.0584952,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aflatoxin B1
Aflatoxins are naturally occurring mycotoxins that are produced by many species of Aspergillus, a fungus. At least 13 different types of aflatoxin are produced in nature. Aflatoxin B1 is considered the most toxic and is produced by both Aspergillus flavus and Aspergillus parasiticus. The native habitat of Aspergillus is in soil, decaying vegetation, hay, and grains undergoing microbiological deterioration and it invades all types of organic substrates whenever conditions are favourable for its growth. Favourable conditions include high moisture content (at least 7\\\%) and high temperature. Aflatoxins B1 (AFB1) are contaminants of improperly stored foods; they are potent genotoxic and carcinogenic compounds, exerting their effects through damage to DNA. They can also induce mutations that increase oxidative damage (PMID: 17214555). Crops which are frequently affected by Aspergillus contamination include cereals (maize, sorghum, pearl millet, rice, wheat), oilseeds (peanut, soybean, sunflower, cotton), spices (chile peppers, black pepper, coriander, turmeric, ginger), and tree nuts (almond, pistachio, walnut, coconut, brazil nut). Production by Aspergillus flavus and Aspergillus parasiticus. Toxin causing Turkey X disease. One of the most potent carcinogens known in animals. Potential food contaminant especies in grains and nuts D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins Aflatoxin B1 (AFB1) is a Class 1A carcinogen, which is a secondary metabolite of Aspergillus flavus and A. parasiticus. Aflatoxin B1 (AFB1) mainly induces the transversion of G-->T in the third position of codon 249 of the p53 tumor suppressor gene, resulting in mutation[1][2].
Gamma-Glutamyl-Se-methylselenocysteine
gamma-Glutamyl-Se-methylselenocysteine is an intermediate in selenoamino acid metabolism(KEGG ID C05695). It is generated from Se-methyl-selenocysteine via the enzyme gamma-glutamyltranspeptidase [EC:2.3.2.2]. [HMDB] gamma-Glutamyl-Se-methylselenocysteine is an intermediate in selenoamino acid metabolism(KEGG ID C05695). It is generated from Se-methyl-selenocysteine via the enzyme gamma-glutamyltranspeptidase [EC:2.3.2.2].
Pteroic acid
C14H12N6O3 (312.09708420000004)
5,6,7-Trimethoxyflavone
5,6,7-Trimethoxyflavone is a novel p38-α MAPK inhibitor with an anti-inflammatory effect. 5,6,7-Trimethoxyflavone is isolated from several plants including Zeyhera tuberculosa, Callicarpa japonica, and Kickxia lanigera[1]. 5,6,7-Trimethoxyflavone is a novel p38-α MAPK inhibitor with an anti-inflammatory effect. 5,6,7-Trimethoxyflavone is isolated from several plants including Zeyhera tuberculosa, Callicarpa japonica, and Kickxia lanigera[1].
Betavulgarin
Betavulgarin, also known as 2-hydroxy-5-methoxy-6,7-methylenedioxyisoflavone, is a member of the class of compounds known as isoflavones. Isoflavones are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Thus, betavulgarin is considered to be a flavonoid lipid molecule. Betavulgarin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Betavulgarin can be found in chickpea, common beet, and red beetroot, which makes betavulgarin a potential biomarker for the consumption of these food products.
De-O-methyldihydrosterigmatocystin
De-O-methyldihydrosterigmatocystin is a mycotoxin produced by Aspergillus versicolor. Mycotoxin production by Aspergillus versicolor.
Caftaric acid
Caftaric acid is a hydroxycinnamic acid. Caftaric acid is a natural product found in Vitis rotundifolia, Vitis cinerea var. helleri, and other organisms with data available. Caftaric acid is a metabolite found in or produced by Saccharomyces cerevisiae. Caftaric acid is a non-flavanoid that impacts the color of white wine. Many believe this molecule is responsible for the yellowish-gold color seen in some whites wines[citation needed]. Aside from wine, it is abundantly present in raisins. Caftaric acid is a natural compound. Caftaric acid is a natural compound.
4',5,7-Trimethoxyflavone
4,5,7-Trimethoxyflavone, also known as trimethylapigenin, belongs to the class of organic compounds known as 7-O-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, 4,5,7-trimethoxyflavone is considered to be a flavonoid lipid molecule. 4,5,7-Trimethoxyflavone is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, 4,5,7-trimethoxyflavone has been detected, but not quantified in, a few different foods, such as citrus, mandarin orange (clementine, tangerine), and sweet oranges. This could make 4,5,7-trimethoxyflavone a potential biomarker for the consumption of these foods. 4,5,7-Trimethoxyflavone is an ether and a member of flavonoids. 4,5,7-Trimethoxyflavone is a natural product found in Tanacetum vulgare, Citrus medica, and other organisms with data available. See also: Tangerine peel (part of). Occurs in the peel of Citrus reticulata (mandarin). 4,5,7-Trimethylapigenin is found in sweet orange and citrus. 5,7,4'-Trimethoxyflavone is isolated from Kaempferia parviflora (KP) that is a famous medicinal plant from Thailand. 5,7,4'-Trimethoxyflavone induces apoptosis, as evidenced by increments of sub-G1 phase, DNA fragmentation, annexin-V/PI staining, the Bax/Bcl-xL ratio, proteolytic activation of caspase-3, and degradation of poly (ADP-ribose) polymerase (PARP) protein.5,7,4'-Trimethoxyflavone is significantly effective at inhibiting proliferation of SNU-16 human gastric cancer cells in a concentration dependent manner[1]. 5,7,4'-Trimethoxyflavone is isolated from Kaempferia parviflora (KP) that is a famous medicinal plant from Thailand. 5,7,4'-Trimethoxyflavone induces apoptosis, as evidenced by increments of sub-G1 phase, DNA fragmentation, annexin-V/PI staining, the Bax/Bcl-xL ratio, proteolytic activation of caspase-3, and degradation of poly (ADP-ribose) polymerase (PARP) protein.5,7,4'-Trimethoxyflavone is significantly effective at inhibiting proliferation of SNU-16 human gastric cancer cells in a concentration dependent manner[1].
2',5,6-Trimethoxyflavone
2,5,6-Trimethoxyflavone is found in pomes. 2,5,6-Trimethoxyflavone is isolated from Casimiroa edulis (Mexican apple). Isolated from Casimiroa edulis (Mexican apple). 2,5,6-Trimethoxyflavone is found in pomes.
Aloe emodin w-acetate
Aloe emodin w-acetate is found in herbs and spices. Aloe emodin w-acetate is isolated from roots of Rumex acetosa (sorrel). Isolated from roots of Rumex acetosa (sorrel). Aloe emodin w-acetate is found in herbs and spices.
2-(2H-1,3-benzodioxol-5-yl)-5-(3-hydroxypropyl)-1-benzofuran-7-ol
Wairol
Isolated from Medicago sativa (alfalfa) infected with leafspot (Ascochyta imperfecta). Wairol is found in alfalfa and pulses. Wairol is found in alfalfa. Wairol is isolated from Medicago sativa (alfalfa) infected with leafspot (Ascochyta imperfecta).
3',4,4'-Trihydroxypulvinone
3,4,4-Trihydroxypulvinone is found in mushrooms. 3,4,4-Trihydroxypulvinone is a constituent of Suillus grevillei (larch bolete)
5-Hydroxy-4',7-dimethoxy-6-methylflavone
5-Hydroxy-4,7-dimethoxy-6-methylflavone is found in beverages. 5-Hydroxy-4,7-dimethoxy-6-methylflavone is isolated from Gaultheria procumbens (wintergreen). Isolated from Gaultheria procumbens (wintergreen). 5-Hydroxy-4,7-dimethoxy-6-methylflavone is found in tea, herbs and spices, and beverages.
Cabreuvin
Cabreuvin is isolated from Myroxylon balsamum (Tolu balsam
1,4,5-Trihydroxy-3-prenylxanthone
1,4,5-Trihydroxy-3-prenylxanthone is found in fruits. 1,4,5-Trihydroxy-3-prenylxanthone is a constituent of the root bark of Garcinia livingstonei (imbe). Constituent of the root bark of Garcinia livingstonei (imbe). 1,4,5-Trihydroxy-3-prenylxanthone is found in fruits.
3',4',5'-Trimethoxyflavone
3,4,5-Trimethoxyflavone is found in herbs and spices. 3,4,5-Trimethoxyflavone is a constituent of the flowers of Primula veris (cowslip). Constituent of the flowers of Primula veris (cowslip). 3,4,5-Trimethoxyflavone is found in tea and herbs and spices.
3-Hydroxy-8,9-dimethoxycoumestan
3-Hydroxy-8,9-dimethoxycoumestan is found in alfalfa. 3-Hydroxy-8,9-dimethoxycoumestan is isolated from Medicago sativa (alfalfa) and Myroxylon balsamum (Tolu balsam Isolated from Medicago sativa (alfalfa) and Myroxylon balsamum (Tolu balsam). 3-Hydroxy-8,9-dimethoxycoumestan is found in alfalfa and pulses.
1-[2-(2H-1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propane-1,3-diol
3',5,6-Trimethoxyflavone
3,5,6-Trimethoxyflavone is found in pomes. 3,5,6-Trimethoxyflavone is isolated from Casimiroa edulis (Mexican apple). Isolated from Casimiroa edulis (Mexican apple). 3,5,6-Trimethoxyflavone is found in pomes.
(E)-Antibiotic BE 23372M
(E)-Antibiotic BE 23372M is found in fats and oils. (E)-Antibiotic BE 23372M is produced by Rhizoctonia solani found on the bark of Ginkgo biloba (ginkgo). Production by Rhizoctonia solani found on the bark of Ginkgo biloba (ginkgo). (E)-Antibiotic BE 23372M is found in fats and oils.
Cis-Caffeoyl tartaric acid
Caftaric acid is a non-flavanoid that impacts the color of white wine. Caftaric acid is formed when caffeic acid and tartaric acid undergo esterification. (Wikipedia
(±)-Dulciol E
(±)-Dulciol E is found in fruits. (±)-Dulciol E is a constituent of Garcinia dulcis (mundu)
Quinacridone
Quinacridone is a fda approved colourant for food-contact paper and board packaging Quinacridone is a red powder. It is an organic compound with the molecular formula C20H12N2O2. It is used as a pigment; analogs bearing this motif are known as quinacridones. FDA approved colourant for food-contact paper and board packaging
8-Hydroxy-3-methoxy-1-methylanthraquinone-2-carboxylic acid
8-Hydroxy-3-methoxy-1-methylanthraquinone-2-carboxylic acid is a constituent of Crocus sativus (saffron). Constituent of Crocus sativus (saffron)
Acetaminophen mercapturate
(2R,3R)-2-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-3-hydroxybutanedioic acid
5-Hydroxy-2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
C14H11F3N2O3 (312.07217319999995)
Pentaleno(1,6a-c)pyran-5-carboxylic acid, 1-(chloromethyl)-1,2,4,4a,6a,7-hexahydro-1-hydroxy-7,8-dimethyl-2-oxo-, (1S-(1alpha,4aalpha,6abeta,7alpha,9aR*))-
Albendazole 2-aminosulphone
C12H16N4O4S (312.08922160000003)
Doxantrazole
C14H8N4O3S (312.03170980000004)
Lonazolac
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
N-Succinimidyl 3-(2-pyridyldithio)propionate
Tipepidine
C10H16N8S2 (312.09392959999997)
N-(4-Aminobutyl)-5-chloronaphthalene-2-sulfonamide
3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one
cis-Caftaric acid
Cis-caftaric acid, also known as (2s,3r)-cis-caffeoyl tartaric acid or cis-caftarate, belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Cis-caftaric acid is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Cis-caftaric acid can be found in common grape, which makes cis-caftaric acid a potential biomarker for the consumption of this food product.
isorhamnetin 3-rutinoside-7-glucoside
3-Carboxy-6,7-dihydroxy-1-(3,4-dihydroxyphenyl)-naphthalene
1-Methoxy-3-hydroxy-2-carbomethoxy-9,10-anthraquinone
(6aR,11aS)-(3,4:8,9)-Bis(methylenedioxy)pterocarpan
4-Methoxy nigricin,5-Hydroxy-4-methoxy-6,7-methylenedioxyisoflavone
1,3,7-Trihydroxy-2-prenylxanthone
1,3,7-Trihydroxy-2-prenylxanthone is a natural product found in Hypericum chinense, Garcinia forbesii, and other organisms with data available.
Pancixanthone B
A member of the class of xanthones that is a tetracyclic compound 1,2-dihydro-6H-furo[2,3-c]xanthen-6-one substituted by hydroxy groups at positions 5 and 10 and methyl groups at positions 1,1 and 2. It has been isolated from Calophyllum pauciflorum and Garcinia vieillardii.
4-(1,1-Dimethyl-2-propenyl)-1,2,7-trihydroxyxanthone
Sideroxylin
Sideroxylin is a monomethoxyflavone that is flavone substituted by a methoxy group at position 7, hydroxy groups at positions 5 and 4 and methyl groups at positions 6 and 8. It has been isolated from Hydrastis canadensis and Eucalyptus species. It has a role as a plant metabolite. It is a dihydroxyflavone and a monomethoxyflavone. It is functionally related to a flavone. Sideroxylin is a natural product found in Myrtus communis, Hydrastis canadensis, and other organisms with data available. A monomethoxyflavone that is flavone substituted by a methoxy group at position 7, hydroxy groups at positions 5 and 4 and methyl groups at positions 6 and 8. It has been isolated from Hydrastis canadensis and Eucalyptus species.
5,2-Dihydroxy-7-methoxy-6,8-dimethylflavone
5-Hydroxy-7-methoxy-3,4-methylenedioxyflavone
5,7,8-Trimethoxyflavone
Norwogonin 5,7,8-trimethyl ether is a natural product found in Uvaria welwitschii with data available.
3-Hydroxy-4-methoxy-8,9-methylenedioxypterocarpene
5-Hydroxy-7,4-dimethoxy-5,2-oxido-4-phenylcoumarin
Betavulgarin
A hydroxyisoflavone that is isoflavone substituted by a hydroxy group at position 2, a methoxy group at position 5 and a methylenedioxy group across positions 6 and 7 respectively.
5-Hydroxyflunixin
C14H11F3N2O3 (312.07217319999995)
CONFIDENCE standard compound; INTERNAL_ID 1157
2-({2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}sulfanyl)acetic acid
C14H17FN2O3S (312.0943864000001)
(2S,3S)-2-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3,4-dihydroxy-2-methylbutanoic acid
3,8-dihydroxy-10-methoxyisochromeno[4,3-b]chromen-7(5h)-one
5,6,9,10-Tetrahydroxy-2,3-dihydrophenanthro[9,10-b]furan-2-carbaldehyde
8,10-Dihydroxy-11-methoxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one
1,3,5-trihydroxy-8-(3-methylbut-2-enyl)xanthen-9-one
(E)-5,7-dihydroxy-6,8-dimethyl-3-(4-hydroxybenzylidene)chroman-4-one
Tri-Me ether-1,3,7-Trihydroxy-6-methylanthraquinone
(2S)-5,7-Dimethoxy-8-formylflavanone
A dimethoxyflavanone that is 5,7-dimethoxyflavanone substituted by a formyl group at position 8. Isolated from the stem bark of Pongamia pinnata, it acts as a an inducer of quinone reductase, a phase II enzyme that protects cells against reactive, toxic and potentially carcinogenic species.
20-Formylbenzo[6,7]indolizino[1,2-b]quinolin-11 (13H)-one
(2S)-8-formyl-5-hydroxy-7-methoxy-6-methylflavanone
A monohydroxyflavanone that is (2S)-flavanone substituted by a hydroxy group at position 5, a methoxy group at position 7, a methyl group at position 6 and a formyl group at position 8. Isolated from Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.
1,3,5-trihydroxy-2-(3-methylbut-2-enyl)xanthen-9-one
perseal G|rel-(7S,8S)-3-methoxy-3,4-methylenedioxy-7-oxo-8.5,7.O.4-8,9-bisnorneolignan
(E)-7,8-dimethoxy-3-(4-hydroxybenzylidene)chroman-4-one|7,8-dimethoxy-3-(4-hydroxybenzylidene)chroman-4-one|8-methoxybonducellin
2,6-Di-Me ether,Ac-2-(2,4-Dihydroxyphenyl)-6-hydroxybenzofuran|2-(4-acetoxy-2-methoxy-phenyl)-6-methoxy-benzofuran|Vignafuranmonoacetat
Tri-Me ether-1,2,5-Trihydroxy-6-methylanthraquinon
2-Methoxy-3-hydroxy-8,8,10-trimethylanthracene-1,4,5(8H)-trione
8-hydroxy-3-methoxy-7-methyl-1,2-methylenedioxy-anthraquinone
3-formyl-4,6-dihydroxy-2-methoxy-5-methyl-chalcone
6a,11a-Dihydro-9-methoxy-6H-benzofuro[3,2-c][1]benzopyran-3-ol acetate
(E)-3-(3,4-dihydroxybenzylidene)-5-(3,4-dihydroxyphenyl)-2(3H)-furanone
6-formyl-2-methoxy-9-methyl-7,8-dihydroxy-1,4-phenanthrenedione
6-beta-hydroxypropionyl-3-methyllumazine hexagonal cyclic enol phosphate
1-Hydroxy-6,8-dimethoxy-2,3-dimethylanthracene-9,10-dione
(Z)-5-(2,4-dihydroxybenzylidene)-3-(4-hydroxyphenyl)-4-hydroxyfuran-2(5H)-one|Trihydroxypluvinon
9-(Methylamino)-8H-benzo[b]pyrido[4,3,2-de][1,10]phenanthroline-8-one
1,5-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-3-carboxylic acid ethyl ester
(4R,5S)-8,9,10-trihydroxy-4-[3,4-dihydroxyphenyl]-1,6-dioxaspiro[4.5]decan-2-one|cyclospirolide
(2R,3S,4R,5R)-7-acetyl-5-hydroxymethyl-4,6,3,4-tetrahydroxy-4,5-dihydrospiro[benzofuran-2(3H),2(3H)-furan]|upuborneol B
2-[2-(4-Hydroxyphenyl)ethyl]-6-hydroxy-7-methoxychromone
6-hydroxy-2-[2-(3-methoxy-4-hydroxyphenyl)ethyl]chromone
7-Hydroxy-12-(1-methyl-1-hydroxyethyl)-3,2-(epoxyethano)-9H-xanthene-9-one
3-(3,4-Dihydroxyphenyl)-5-[(alphaE)-alpha,4-dihydroxybenzylidene]furan-2(5H)-one
6,7-dihydrox-3-methoxy-4,5-methyl-enedioxyisoflavone
(E)-7-hydroxy-3-(2,4-dimethoxybenzylidene)chroman-4-one|2-methoxybonducellin|7-hydroxy-3-(2,4-dimethoxybenzylidene)chroman-4-one
5,8-Dihydroxy-2-(2-(4-methoxyphenyl)ethyl)chromone
9,10-Anthracenedione, 2-ethenyl-1,3,6,8-tetrahydroxy-7-methyl-
3,8-Diacetoxy-benzo[c]chromen-6-on|3,8-diacetoxy-benzo[c]chromen-6-one|Urolithin A-diacetat
2,4,8-trihydroxy-1-(3-methylbut-2-enyl)xanthen-9-one
4-O-sulfonyl-3-prenyl-p-coumaric acid|Petasiformin A|petasiformin-A
3-Hydroxy-4,9-dimethoxy-6H-benzofuro[3,2-c][1]benzopyran-6-one
(-)-sclerodione|(S)-Sclerodione|(??)-Sclerodione|sclerodione
2,6,8-trihydroxy-1-(3-methylbut-2-enyl)xanthen-9-one
7-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrofuro[3,2-c]xanthen-6-one
ACon1_001643
5,6,7-trimethoxyflavone is a trimethoxyflavone that is the 5,6,7-trimethyl ether derivative of baicalein. It has been isolated from the plant Callicarpa japonica and has been shown to exhibit antiviral activity. It has a role as a plant metabolite and an anti-HSV-1 agent. It is functionally related to a baicalein. 5,6,7-Trimethoxyflavone is a natural product found in Callicarpa japonica, Friesodielsia velutina, and other organisms with data available. A trimethoxyflavone that is the 5,6,7-trimethyl ether derivative of baicalein. It has been isolated from the plant Callicarpa japonica and has been shown to exhibit antiviral activity. 5,6,7-Trimethoxyflavone is a novel p38-α MAPK inhibitor with an anti-inflammatory effect. 5,6,7-Trimethoxyflavone is isolated from several plants including Zeyhera tuberculosa, Callicarpa japonica, and Kickxia lanigera[1]. 5,6,7-Trimethoxyflavone is a novel p38-α MAPK inhibitor with an anti-inflammatory effect. 5,6,7-Trimethoxyflavone is isolated from several plants including Zeyhera tuberculosa, Callicarpa japonica, and Kickxia lanigera[1].
Tanshindiol C
Tanshindiol C is a natural product found in Salvia miltiorrhiza and Salvia miltiorrhiza var. miltiorrhiza with data available.
Tanshindiol A
Tanshindiol A is a natural product found in Salvia miltiorrhiza with data available.
Tanshindiol B
Tanshindiol B is a natural product found in Salvia miltiorrhiza with data available.
3OHX-MB
1,3,5-Trihydroxy-4-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one is a natural product found in Maclura cochinchinensis, Maclura tricuspidata, and Anaxagorea luzonensis with data available.
boeravinoneB
boeravinone B is a natural product found in Mirabilis jalapa and Boerhavia diffusa with data available.
Baicalein Trimethyl Ether
5,6,7-Trimethoxyflavone is a novel p38-α MAPK inhibitor with an anti-inflammatory effect. 5,6,7-Trimethoxyflavone is isolated from several plants including Zeyhera tuberculosa, Callicarpa japonica, and Kickxia lanigera[1]. 5,6,7-Trimethoxyflavone is a novel p38-α MAPK inhibitor with an anti-inflammatory effect. 5,6,7-Trimethoxyflavone is isolated from several plants including Zeyhera tuberculosa, Callicarpa japonica, and Kickxia lanigera[1].
2,3,6-Trimethoxyflavone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.289 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.291
3,4-Dimethoxy-3-hydroxy-6-methylflavone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.320 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.318
Aflatoxin B1
An aflatoxin having a tetrahydrocyclopenta[c]furo[3,2:4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins CONFIDENCE standard compound; INTERNAL_ID 5962 CONFIDENCE Reference Standard (Level 1) Aflatoxin B1 (AFB1) is a Class 1A carcinogen, which is a secondary metabolite of Aspergillus flavus and A. parasiticus. Aflatoxin B1 (AFB1) mainly induces the transversion of G-->T in the third position of codon 249 of the p53 tumor suppressor gene, resulting in mutation[1][2].
4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,3-dihydroxy-2-methylbutanoic acid
4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid
5,6-dimethoxy-2-(2-methoxyphenyl)chromen-4-one
(4-formyl-9-methoxy-5-methylbenzo[f][1]benzofuran-3-yl)methyl acetate
(2S,3S)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxy-2-methylbutanoic acid
C18H16O5_2(5H)-Furanone, 4-(2-hydroxy-4-methoxyphenyl)-5-[(4-hydroxyphenyl)methyl]
1,3,6-trihydroxy-2-(3-methylbut-2-enyl)xanthen-9-one
4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid
5,6-dimethoxy-2-(2-methoxyphenyl)chromen-4-one [IIN-based on: CCMSLIB00000847313]
5,6-dimethoxy-2-(2-methoxyphenyl)chromen-4-one [IIN-based: Match]
4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,3-dihydroxy-2-methylbutanoic acid [IIN-based: Match]
4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid_major
5,7,4-Trimethoxyflavone
5,7,4'-Trimethoxyflavone is isolated from Kaempferia parviflora (KP) that is a famous medicinal plant from Thailand. 5,7,4'-Trimethoxyflavone induces apoptosis, as evidenced by increments of sub-G1 phase, DNA fragmentation, annexin-V/PI staining, the Bax/Bcl-xL ratio, proteolytic activation of caspase-3, and degradation of poly (ADP-ribose) polymerase (PARP) protein.5,7,4'-Trimethoxyflavone is significantly effective at inhibiting proliferation of SNU-16 human gastric cancer cells in a concentration dependent manner[1]. 5,7,4'-Trimethoxyflavone is isolated from Kaempferia parviflora (KP) that is a famous medicinal plant from Thailand. 5,7,4'-Trimethoxyflavone induces apoptosis, as evidenced by increments of sub-G1 phase, DNA fragmentation, annexin-V/PI staining, the Bax/Bcl-xL ratio, proteolytic activation of caspase-3, and degradation of poly (ADP-ribose) polymerase (PARP) protein.5,7,4'-Trimethoxyflavone is significantly effective at inhibiting proliferation of SNU-16 human gastric cancer cells in a concentration dependent manner[1].
Caftaric acid
Caftaric acid is a natural compound. Caftaric acid is a natural compound.
Cis-Caffeoyl tartaric acid
3',4,4'-Trihydroxypulvinone
Demethyldihydrosterigmatocystin
8-Hydroxy-3-methoxy-1-methylanthraquinone-2-carboxylic acid
(E)-Antibiotic BE 23372M
MAGNESIUM MONOPEROXYPHTHALATE HEXAHYDRAT E, TECH., 80
5-(2-Methoxyphenoxy)-[2,2-bipyrimidine]-4,6[1H,5H]-dione
Diethyl 3,4-Dimethylthieno[2,3-b]Thiophene-2,5-Dicarboxylate
1-amino-9,10-dihydro-4-nitro-9,10-dioxoanthracene-2-carboxylic acid
2,4,6-Cycloheptatrien-1-one,3-[3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-2-hydroxy-
methyl 3-bromo-4-(piperazin-1-ylmethyl)benzoate
C13H17BrN2O2 (312.04733219999997)
3-bromo-4-(4-ethylpiperazin-1-yl)benzoic acid
C13H17BrN2O2 (312.04733219999997)
Doxantrazole
C14H8N4O3S (312.03170980000004)
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors
DIETHYL 2-(((2-AMINO-4-CHLOROPHENYL)AMINO)METHYLENE)MALONATE
2-((4-(TRIFLUOROMETHOXY)PHENOXY)METHYL)&
C14H12BF3O4 (312.07806980000004)
3-((4-(TRIFLUOROMETHOXY)PHENOXY)METHYL)&
C14H12BF3O4 (312.07806980000004)
1-[2-AMINO-1-(3-BROMO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
C13H17BrN2O2 (312.04733219999997)
1-[2-AMINO-1-(4-BROMO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
C13H17BrN2O2 (312.04733219999997)
6-(BROMOMETHYL)-4-CHLORO-4,4-DIMETHYL-2,3,4,5-TETRAHYDRO-1,1-BIPHENYL
3-BROMO-4-((4-METHYLPIPERAZIN-1-YL)METHYL)BENZOIC ACID
C13H17BrN2O2 (312.04733219999997)
tert-Butyl 3-bromo-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate
C13H17BrN2O2 (312.04733219999997)
2-(2-Bromo-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C13H18BBrO3 (312.05322880000006)
2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetic acid
1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyldisulfanyl]ethyl]pyrrole-2,5-dione
TERT-BUTYL 6-BROMO-3,4-DIHYDRO-1,8-NAPHTHYRIDINE-1(2H)-CARBOXYLATE
C13H17BrN2O2 (312.04733219999997)
METHYL 6,6-DIMETHYL-4-OXO-3-(PROPYLTHIO)-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
C15H20O3S2 (312.08538100000004)
(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide
C13H14F2N4OS (312.08563380000004)
4-METHYL-2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFONATE
4-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)THIAZOL-2-AMINE
C11H6F6N2S (312.01558680000005)
2-[(4-Chloro-1-naphthyloxy)methyl]phenylboronic acid
Tiotidine
C10H16N8S2 (312.09392959999997)
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists Tiotidine (ICI 125211) is a potent and selective antagonist of histamine H2-receptor (pA2=7.3-7.8 for guinea-pig right atrium). Tiotidine has low affinity for both the H1 and the H3 receptors[1][2].
2-chloro-N-(2-chloroethyl)-N-[(4-nitrophenyl)methyl]ethanamine,hydrochloride
(2-methyl-6-trimethylsilylphenyl) trifluoromethanesulfonate
2-[(TERT-BUTOXYCARBONYL)AMINO]-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID
3-HYDROXY-5-(3-TRIFLUOROMETHYL-PHENOXY)-BENZOIC ACID METHYL ESTER
6-(Benzyloxy)-4-chloro-7-fluoro-3-quinolinecarbonitrile
VARIAMINE BLUE B SULFATE (=4-AMINO-4-METHOXYDIPHENYLAMINE SULFATE)[FOR IRON-TITRATION]
C-[4-(3-CHLORO-BENZYL)-MORPHOLIN-2-YL]-METHYLAMINE DIHYDROCHLORIDE
ETHYL 3-(BUTYLTHIO)-4-OXO-4,5,6,7-TERAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
C15H20O3S2 (312.08538100000004)
Talosalate
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
1-{[4-(ACETYLAMINO)PHENYL]SULFONYL}PYRROLIDINE-2-CARBOXYLIC ACID
1-(2-chlorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
C14H8ClF3N2O (312.02772239999996)
SPDP
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents
(3-(BENZYLOXY)-5-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID
C14H12BF3O4 (312.07806980000004)
N-(2-Methyl-5-nitrophenyl)-4-(3-pyridinyl)-2-thiazolamine
4-bromo-N-(2-morpholin-4-ylethyl)benzamide
C13H17BrN2O2 (312.04733219999997)
Clenbuterol hydrochloride
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
(R)-3-(3-FLUORO-4-THIOMORPHOLINOPHENYL)-5-(HYDROXYMETHYL)OXAZOLIDIN-2-ONE
C14H17FN2O3S (312.0943864000001)
1-(2-(Methylsulfonyl)phenyl)piperazine hydrochloride
1-(2-Chlorobenzoyl)piperazine-2,3-dicarboxylic Acid
C13H13N2O5Cl (312.05129580000005)
4,5-Dihydro-alpha-(hydroxymethyl)-alpha,3-dimethyl-5-oxo-1-phenyl-1H-pyrazole-4-methanesulfonic acid
5-Bromo-2-methoxyphenylboronic acid pinacol ester
C13H18BBrO3 (312.05322880000006)
4,5-BIS-(4-METHOXY-PHENYL)-1,3-DIHYDRO-IMIDAZOLE-2-THIONE
Tetrakis(hydroxymethyl)phosphonium sulfate urea polymer
C5H17N2O9PS (312.03923620000006)
(4-(((4-CHLORONAPHTHALEN-1-YL)OXY)METHYL)PHENYL)BORONIC ACID
2-chloro-1-(3,6-diphenyl-1H-1,2,4,5-tetrazin-2-yl)ethanone
4-(4-(TRIFLUOROMETHOXY)PHENOXYMETHYL)P&
C14H12BF3O4 (312.07806980000004)
methyl 5-bromo-2-(4-methylpiperazin-1-yl)benzoate
C13H17BrN2O2 (312.04733219999997)
Tegafur-Uracil
C471 - Enzyme Inhibitor > C2021 - Thymidylate Synthase Inhibitor D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents
Pirbuterol hydrochloride
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
Glybuthiazol
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent
(3E)-3-(3,4-dihydroxybenzylidene)-5-(3,4-dihydroxyphenyl)furan-2(3H)-one
6-Chloro-4-phenyl-2-(prop-2-enylthio)quinazoline
C17H13ClN2S (312.04879280000006)
1-(3,4-Dichlorophenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)urea
N2-(2,4-Dinitrophenyl)-L-glutamine
C11H12N4O7 (312.07059619999995)
Ethyl 5-hydroxy-2-(phenoxymethyl)-1-benzofuran-3-carboxylate
2,4-dichloro-N-[2-(1H-1,2,4-triazol-1-yl)ethanimidoyl]benzenecarbohydrazide
7-(5-chloro-2-methylphenyl)-2-ethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
1-(2,4-Dichlorophenyl)-3-[3-(1-imidazolyl)propyl]urea
2-(3,4-Dimethoxyphenyl)-3-hydroxy-6-methylchromen-4-one
6-Amino-2-[(Thiophen-2-Ylmethyl)amino]-1,7-Dihydro-8h-Imidazo[4,5-G]quinazolin-8-One
Lonazolac
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
isorhamnetin 3-rutinoside-7-glucoside
1-[(3,4-dichlorophenyl)methyl]-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine
(1S,9aS)-1-Chloromethyl-1,2,4,4aalpha,6abeta,7-hexahydro-1alpha-hydroxy-7alpha,8-dimethyl-2-oxopentaleno[1,6a-c]pyran-5-carboxylic acid
1-[2-(1,3-Benzodioxol-5-yl)-1-benzouran-5-yl]propane-1,3-diol
2H-Pyrano(2,3,4-kl)xanthen-2-one, 10-hydroxy-5,9-dimethoxy-
isorhamnetin 3-rutinoside-7-glucoside
5-Phosphoribosyl-N-formylglycineamide
C8H13N2O9P-2 (312.03586580000007)
2-(formamido)-N1-(5-phospho-beta-D-ribosyl)acetamidine
C8H15N3O8P- (312.05967400000003)
N-(4-Aminobutyl)-5-chloronaphthalene-2-sulfonamide
2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide
(2S)-6-formyl-8-methyl-7-O-methylpinocembrin
A monohydroxyflavanone that is (2S)-flavanone substituted by a hydroxy group at position 5, a methoxy group at position 7, a methyl group at position 8 and a formyl group at position 6. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.
(Z)-3-(3,4-dihydroxybenzylidene)-5-(3,4-dihydroxyphenyl)-2(3H)-furanone
A butenolide that is furan-2(3H)-one substituted by a 3,4-dihydroxybenzylidene group at position 3 and a 3,4-dihydroxyphenyl group at position 5. It has been isolated from the roots of Scorzonera judaica.
N(2)-formyl-N(1)-(5-phospho-D-ribosyl)glycinamide(2-)
C8H13N2O9P-2 (312.03586580000007)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-formamido-N(1)-(5-O-phosphonato-D-ribosyl)acetamidine
C8H15N3O8P- (312.05967400000003)
Conjugate base of 2-formamido-N(1)-(5-phospho-D-ribosyl)acetamidine. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2S,3R)-trans-caftaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with one of the hydroxy groups of meso-tartaric acid.
N-[[(5-hydroxy-1-naphthalenyl)amino]-sulfanylidenemethyl]-2-furancarboxamide
N-benzyl-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanylidene-1H-quinazolin-4-one
N-[3-(2-benzofuranyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide
4-Chloro-6-[4-[(4-methylphenyl)-oxomethyl]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
4-(3,5-Difluoroanilino)-6-(2,2-difluoroethylamino)-1,3,5-triazine-2-carbonitrile
3-methyl-4,7-bis(methylsulfonyl)-3a,5,6,7a-tetrahydro-1H-imidazo[4,5-b]pyrazin-2-one
3-(3-nitrophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione
3-Hydroxy-2-(5-thiophen-2-yl-2-furanyl)-1,2-dihydroquinazolin-4-one
4-O-[2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
(3S)-4-oxo-3-propan-2-yl-3-(3-thiophenyl)diazetidine-1,2-dicarboxylic acid dimethyl ester
2-(1H-benzimidazol-2-yl)-3-(5-nitrothiophen-2-yl)-3-oxopropanenitrile
C14H8N4O3S (312.03170980000004)
3,4,5-Trihydroxy-6-(2-phenylacetyl)oxyoxane-2-carboxylic acid
(2R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,3-dihydroxy-2-methylbutanoic acid
5-Hydroxy-9,10-dioxoanthracene-1,3-dicarboxylic acid
6-(4-Ethenyl-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(4-Ethenyl-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
5-Hydroxy-7-methoxy-3-(3-methoxyphenyl)-8-methylchromen-4-one
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) pentanoate
4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,3-dihydroxy-2-methylbutanoic acid
4-(Methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3,2:4,5]furo[2,3-h]chromene-1,11-dione
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins Aflatoxin B1 (AFB1) is a Class 1A carcinogen, which is a secondary metabolite of Aspergillus flavus and A. parasiticus. Aflatoxin B1 (AFB1) mainly induces the transversion of G-->T in the third position of codon 249 of the p53 tumor suppressor gene, resulting in mutation[1][2].
Pteroic acid
C14H12N6O3 (312.09708420000004)
Dihydrodemethylsterigmatocystin
An organic heteropentacyclic compound that is sterigmatocystin in which the methoxy group at position 6 is replaced by a hydroxy group.
carbapenem MM22383
A carbapenem-3-carboxylic acid having a 2-(acetamidovinyl)sulfanyl group at the 2-position and an (S)-1-hydroxyethyl group at the 6-position.
gamma-Glutamyl-Se-methylselenocysteine
A dipeptide obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of Se-methylselenocysteine.
S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine
An S-substituted N-acetyl-L-cysteine in which the S-substitutuent is specified as 5-acetamido-2-hydroxyphenyl.
(2S,3R)-cis-caftaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of cis-caffeic acid with one of the hydroxy groups of meso-tartaric acid.
N(2)-formyl-N(1)-(5-phospho-D-ribosyl)glycinamide(2-)
C8H13N2O9P (312.03586580000007)
Dianion of N(2)-formyl-N(1)-(5-phospho-D-ribosyl)glycinamide.
BE-23372M
A butenolide that is furan-2(3H)-one substituted by a 3,4-dihydroxybenzylidene group at position 3 and a 3,4-dihydroxyphenyl group at position 5 (the 3E stereoisomer). It is isolated from the fermentation broth of the fungal strain Rhizoctonia solani F23372 and has been found to possess significant tyrosine kinase inhibitory potential. It also inhibits the growth of A431 human epidermoid carcinoma and MKN-7 human stomach cancer cell lines.
Galangin 3,5,7-trimethyl ether
A trimethoxyflavone that is the 3,5,7-trimethyl ether derivative of galangin.