Exact Mass: 312.11437200000006
Exact Mass Matches: 312.11437200000006
Found 500 metabolites which its exact mass value is equals to given mass value 312.11437200000006,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Benzyl butyl phthalate
CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10079; ORIGINAL_PRECURSOR_SCAN_NO 10074 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10050; ORIGINAL_PRECURSOR_SCAN_NO 10045 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10050; ORIGINAL_PRECURSOR_SCAN_NO 10048 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10020; ORIGINAL_PRECURSOR_SCAN_NO 10018 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10069; ORIGINAL_PRECURSOR_SCAN_NO 10066 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9995; ORIGINAL_PRECURSOR_SCAN_NO 9990 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3597 CONFIDENCE standard compound; INTERNAL_ID 8369 D009676 - Noxae > D013723 - Teratogens
Nivalenol
Nivalenol is a trichothecene produced by Fusaria, Stachybotrys, Trichoderma and other fungi, and some higher plants. They may contaminate food or feed grains, induce emesis and hemorrhage in lungs and brain, and damage bone marrow due to protein and DNA synthesis inhibition.(PubChem). It has been reported in the urine of patients suffering chronic idiopathic spastic paraparesis. These patients are usually found in hot and humid regions, most of which have heavy rains, and these conditions allow foods to be polluted by fungi some of which become toxigenic (PubMed ID 8855894 ). Nivalenol is a trichothecene produced by Fusaria, Stachybotrys, Trichoderma and other fungi, and some higher plants. They may contaminate food or feed grains, induce emesis and hemorrhage in lungs and brain, and damage bone marrow due to protein and DNA synthesis inhibition.(PubChem) D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Serotinose
Serotinose is found in fruits. Serotinose is from glucomannan of Tamarindus indic
Arabinogalactose
Arabinogalactose is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Arabinogalactose is soluble (in water) and a very weakly acidic compound (based on its pKa). Arabinogalactose can be found in arabica coffee, which makes arabinogalactose a potential biomarker for the consumption of this food product.
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].
2',3,4',5-Tetrahydroxy-4-prenylstilbene
2,3,4,5-Tetrahydroxy-4-prenylstilbene is found in fruits. 2,3,4,5-Tetrahydroxy-4-prenylstilbene is a constituent of Artocarpus incisus (breadfruit) and Morus alba (white mulberry) Constituent of Artocarpus incisus (breadfruit) and Morus alba (white mulberry). 2,3,4,5-Tetrahydroxy-4-prenylstilbene is found in fruits.
m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid
Penicillin F
C14H20N2O4S (312.11437200000006)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
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].
Norclozapine
Norclozapine is the major metabolite of Clozapine. Clozapine is an atypical antipsychotic medication used in the treatment of schizophrenia, and is also sometimes used off-label for the treatment of bipolar disorder. Clozapine is extensively metabolized in the liver, via the cytochrome P450 system, to polar metabolites suitable for elimination in the urine and feces. The major metabolite, norclozapine (desmethyl-clozapine), is pharmacologically active. (Wikipedia) D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N-Desmethylclozapine is a major active metabolite of the atypical antipsychotic agent Clozapine. N-Desmethylclozapine is a potent, allosteric and partial M1 receptors agonist (EC50=115 nM) and is able to potentiate hippocampal N-methyl-d-aspartate (NMDA) receptor currents through M1 receptor activation. N-Desmethylclozapine is also a δ-opioid agonist[1][2].
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.
2-O-b-D-Galactopyranosyl-D-xylose
2-O-b-D-Galactopyranosyl-D-xylose is isolated from the partial acid hydrolysate of gum tragacanth. Isolated from the partial acid hydrolysate of gum tragacanth
2-(2H-1,3-benzodioxol-5-yl)-5-(3-hydroxypropyl)-1-benzofuran-7-ol
4-(3-Methyl-1-butenyl)-3,3',4',5-tetrahydroxystilbene
(E,E)-Arachidin I is found in nuts. (E,E)-Arachidin I is a constituent of peanuts (Arachis hypogaea). Constituent of peanuts (Arachis hypogaea). (E,E)-Arachidin I is found in nuts.
3-O-beta-D-Galactopyranosyl-L-arabinose
3-O-beta-D-Galactopyranosyl-L-arabinose is found in fruits. 3-O-beta-D-Galactopyranosyl-L-arabinose is isolated from partial acid hydrolysates of Aegle marmelos gum (bael fruit) and from the mucilage of Opuntia ficus-indica (Indian fig). Isolated from partial acid hydrolysates of Aegle marmelos gum (bael fruit) and from the mucilage of Opuntia ficus-indica (Indian fig). 3-O-beta-D-Galactopyranosyl-L-arabinose is found in fruits.
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-Hydroxychavicol 1-glucoside
3-Hydroxychavicol 1-glucoside is found in herbs and spices. 3-Hydroxychavicol 1-glucoside is a constituent of Mentha spicata var. crispa (spearmint) and rhizomes of Alpinia officinarum (lesser galangal) Constituent of Mentha spicata variety crispa (spearmint) and rhizomes of Alpinia officinarum (lesser galangal). 3-Hydroxychavicol 1-glucoside is found in herbs and spices.
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.
(1E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-1-en-3-one
1-[2-(2H-1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propane-1,3-diol
Gancaonin V
Gancaonin V is found in herbs and spices. Gancaonin V is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin V is found in herbs and spices.
Sambubiose
Sambubiose is found in black elderberry. Sambubiose is isolated from Sambucus nigra (elderberry Isolated from Sambucus nigra (elderberry). Sambubiose is found in fruits and black elderberry.
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.
Honyudisin
Honyudisin is found in citrus. Honyudisin is a constituent of Citrus grandis (pummelo). Constituent of Citrus grandis (pummelo). Honyudisin is found in citrus.
Methionyl-Tyrosine
C14H20N2O4S (312.11437200000006)
Methionyl-Tyrosine is a dipeptide composed of methionine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Galactose-beta-1,4-xylose
Galactose-beta-1,4-xylose is a disaccharide and a likely degradation product from glycosaminoglycans (GAGs) such as heparin sulfate and condroitin sulfate. GAGs are a major component of proteoglycans, which typically consist of a core protein and negatively charged GAGs. Proteoglycans are widely expressed on the cell surface and in the extracellular matrix of various tissues and play important roles in the control of growth and differentiation. The biosynthesis of GAG is initiated by the formation of the linkage tetrasaccharide structure, GlcA1,3Gal1, 3Gal1,4Xyl1-O-Ser, which is common to heparin sulfate, dermatan sulfate and condroitin sulfate. In humans proteoglycan 1,4-galactosyltransferase I (Beta 1,4-galactosyltransferase 7) (B4GalTI) transfers galactose to protein-linked xylose to form galactose-beta-1,4-xylose, which is the disaccharide unit from which the last two galactosyl and glucuronosyl units of the tetrasaccharide unit are attached via transferases. [HMDB] Galactose-beta-1,4-xylose is a disaccharide and a likely degradation product from glycosaminoglycans (GAGs) such as heparin sulfate and condroitin sulfate. GAGs are a major component of proteoglycans, which typically consist of a core protein and negatively charged GAGs. Proteoglycans are widely expressed on the cell surface and in the extracellular matrix of various tissues and play important roles in the control of growth and differentiation. The biosynthesis of GAG is initiated by the formation of the linkage tetrasaccharide structure, GlcA1,3Gal1, 3Gal1,4Xyl1-O-Ser, which is common to heparin sulfate, dermatan sulfate and condroitin sulfate. In humans proteoglycan 1,4-galactosyltransferase I (Beta 1,4-galactosyltransferase 7) (B4GalTI) transfers galactose to protein-linked xylose to form galactose-beta-1,4-xylose, which is the disaccharide unit from which the last two galactosyl and glucuronosyl units of the tetrasaccharide unit are attached via transferases.
Tyrosyl-Methionine
C14H20N2O4S (312.11437200000006)
Tyrosyl-Methionine is a dipeptide composed of tyrosine and methionine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Dictyoquinazol A
Dictyoquinazol A is found in mushrooms. Dictyoquinazol A is an alkaloid from the edible mushroom Dictyophora indusiata. Alkaloid from the edible mushroom Dictyophora indusiata. Dictyoquinazol A is found in mushrooms.
6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol
(±)-Dulciol E
(±)-Dulciol E is found in fruits. (±)-Dulciol E is a constituent of Garcinia dulcis (mundu)
Moringyne
Moringyne is found in fats and oils. Moringyne is a constituent of the seeds of Moringa oleifera (horseradish tree)
4-O-beta-D-Galactopyranosyl-D-xylose
4-O-beta-D-Galactopyranosyl-D-xylose is found in cereals and cereal products. 4-O-beta-D-Galactopyranosyl-D-xylose is isolated from partial acid hydrolysate of corn-hull hemicellulose and from bean cell wall. 4-O-beta-D-Galactopyranosyl-D-xylose is a constituent of the oligosaccharides from the linkage region of chondroitin 4-sulfate. Isolated from partial acid hydrolysate of corn-hull hemicellulose and from bean cell wall. Constituent of the oligosaccharides from the linkage region of chondroitin 4-sulfate. 4-O-beta-D-Galactopyranosyl-D-xylose is found in cereals and cereal products.
Penicillin F
C14H20N2O4S (312.11437200000006)
Piromelatine
C78272 - Agent Affecting Nervous System Piromelatine (Neu-P11) is a melatonin MT1/MT2 receptor agonist, serotonin 5-HT1A/5-HT1D agonist, and serotonin 5-HT2B antagonist. Piromelatine (Neu-P11) possesses sleep promoting, analgesic, anti-neurodegenerative, anxiolytic and antidepressant potentials. Piromelatine (Neu-P11) also possesses pain-related P2X3, TRPV1, and Nav1.7 channel-inhibition capacities[1][2][3].
(2S)-2-Amino-3-[4-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyphenyl]propanoic acid
C14H20N2O4S (312.11437200000006)
4-(1-(2-Fluoro-4-biphenyl)ethyl)-2-methylaminothiazole
C18H17FN2S (312.10964140000004)
Tipepidine
C10H16N8S2 (312.09392959999997)
2-O-(beta-L-Arabinopyranosyl)-myoinositol
2-o-(beta-l-arabinopyranosyl)-myoinositol is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. 2-o-(beta-l-arabinopyranosyl)-myoinositol is soluble (in water) and a very weakly acidic compound (based on its pKa). 2-o-(beta-l-arabinopyranosyl)-myoinositol can be found in tea, which makes 2-o-(beta-l-arabinopyranosyl)-myoinositol a potential biomarker for the consumption of this food product.
Nordentatin
Nordentatin is a member of the class of compounds known as angular pyranocoumarins. Angular pyranocoumarins are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety. Nordentatin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Nordentatin can be found in sweet orange, which makes nordentatin a potential biomarker for the consumption of this food product.
Eriosematin
Eriosematin is a natural product found in Eriosema tuberosum with data available.
Isohyenanchin
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
5,7,8-Trimethoxyflavone
Norwogonin 5,7,8-trimethyl ether is a natural product found in Uvaria welwitschii with data available.
2-({2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}sulfanyl)acetic acid
C14H17FN2O3S (312.0943864000001)
4-(Methylthio)-2-morpholino-6-phenylpyrimidine-5-carbonitrile
N-Desmethylclozapine
A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist. N-Desmethylclozapine is a major active metabolite of the atypical antipsychotic agent Clozapine. N-Desmethylclozapine is a potent, allosteric and partial M1 receptors agonist (EC50=115 nM) and is able to potentiate hippocampal N-methyl-d-aspartate (NMDA) receptor currents through M1 receptor activation. N-Desmethylclozapine is also a δ-opioid agonist[1][2].
STA-4C (TENTATIVE)
C15H20O5S (312.10313900000006)
TENTATIVELY IDENTIFIED SPECTRUM ONLY!!!!!!!!!; Extracted (without noise removal) from ZUG_N: mz311_10_rt9_61_HCD60_STA-4C; CONFIDENCE Tentative identification: isomers possible (Level 3)
1-[2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
1-[2-(4-Fluorophenyl)acetyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
Me-STA3C
C15H20O5S (312.10313900000006)
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
3-(2-hydroxymethyl-4-methoxyphenyl)-6-methoxy-4-quinazoline
5-O-beta-D-Galactopyranosyl-L-arabinose|O5-beta-D-Galactopyranosyl-L-arabinose
alpha-Furanose-2-O-beta-D-Glucopyranosyl-L-arabinose
3-deoxy-5-O-alpha-D-galactopyranosyl-D-threo-pentonic acid
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
methyl 2-[4-(alpha-L-rhamnopyranosyl)phenyl]acetate
1beta,2beta-epoxy-3beta,4alpha,8beta,10alpha-tetrahydroxyguaia-11(13)-en-12,6alpha-olide
1,5-Dibenzoyl-beta-Pyranose-2-O-beta-D-Apiofuranosyl-D-glucose
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.
(2R)-1-O-(2-phenylpropanoyl)-beta-D-glucopyranuronic acid|(2R)-phenylpropionyl beta-D-glucopyranoside|(R)-1PG|1-([(2R)-phenyl]propanoyl)-beta-D-glucopyranose
(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
O1-((S)-1-phenyl-propyl)-beta-D-glucopyranuronic acid|O1-((S)-1-Phenyl-propyl)-beta-D-glucopyranuronsaeure
4-O-beta-D-galactopyranosyl-D-xylose|4-O-beta-galactopyranosyl-D-xylose|O4-beta-D-Galactopyranosyl-D-xylose
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
1??,2??-Epoxy-3??,4??,9??,10??-tetrahydroxyguaia-11(13)-en-12,6??-olide
1-Hydroxy-6,8-dimethoxy-2,3-dimethylanthracene-9,10-dione
rel-(2Z,4E)-5-((1R,3R,4R,5S,8S)-1,5-dimethyl-3,4,8-trihydroxy-7-oxa-6-oxobicyclo[3.2.1]oct-8-yl)-3-methyl-2,4-pentadienoic acid
4-butoxy-2,3-dihydroxy-2-(4-hydroxybenzyl)-4-oxobutanoic acid
9-(Methylamino)-8H-benzo[b]pyrido[4,3,2-de][1,10]phenanthroline-8-one
2-[2-(4-Hydroxyphenyl)ethyl]-6-hydroxy-7-methoxychromone
methyl 1-(methyl propionate)-beta-carboline-3-carboxylate
6-hydroxy-2-[2-(3-methoxy-4-hydroxyphenyl)ethyl]chromone
7-Hydroxy-12-(1-methyl-1-hydroxyethyl)-3,2-(epoxyethano)-9H-xanthene-9-one
2-(3-hydroxy-4,5-dimethoxy-phenyl)ethyl 5-hydroxy-4-oxo-pentanoate
(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
2,4,8-trihydroxy-1-(3-methylbut-2-enyl)xanthen-9-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.
2, 4-Dihydroxy-allylbenzene-2-O-β-D-glucopyranoside
Norclozapine
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants CONFIDENCE standard compound; INTERNAL_ID 1563 INTERNAL_ID 1563; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 3607 N-Desmethylclozapine is a major active metabolite of the atypical antipsychotic agent Clozapine. N-Desmethylclozapine is a potent, allosteric and partial M1 receptors agonist (EC50=115 nM) and is able to potentiate hippocampal N-methyl-d-aspartate (NMDA) receptor currents through M1 receptor activation. N-Desmethylclozapine is also a δ-opioid agonist[1][2].
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
5,6-dimethoxy-2-(2-methoxyphenyl)chromen-4-one
(4-formyl-9-methoxy-5-methylbenzo[f][1]benzofuran-3-yl)methyl acetate
C15H20O7_beta-D-Glucopyranoside, (2E)-3-(4-hydroxyphenyl)-2-propen-1-yl
C15H20O7_2-Acetyl-3-methylphenyl beta-D-glucopyranoside
C18H16O5_2(5H)-Furanone, 4-(2-hydroxy-4-methoxyphenyl)-5-[(4-hydroxyphenyl)methyl]
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4,5-triol
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol
1,3,6-trihydroxy-2-(3-methylbut-2-enyl)xanthen-9-one
CID 440908
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Reference Standard (Level 1)
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]
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4,5-triol_major
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol_major
1-[2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone_major
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol_73.9\\%
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol_47.6\\%
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].
Met-tyr
C14H20N2O4S (312.11437200000006)
A dipeptide formed from L-methionine and L-tyrosine residues.
Tyr-met
C14H20N2O4S (312.11437200000006)
A dipeptide obtained by formal condensation of the carboxy group of L-tyrosine with the amino group of L-methionine.
3-Hydroxychavicol 1-glucoside
(3BETA,5BETA,16BETA)-3-[(6-DEOXY-3-O-METHYL-D-GALACTOPYRANOSYL)OXY]-14,16-DIHYDROXYCARD-20(22)-ENOLIDE
C14H20N2O4S (312.11437200000006)
1,2-Ethanediamine,N1,N2-bis(phenylmethyl)-, hydrochloride (1:2)
2,4,6-Cycloheptatrien-1-one,3-[3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-2-hydroxy-
1,1,3,3,5,5,7,7,7-nonamethyltetrasiloxanol
C9H28O4Si4 (312.10646080000004)
6-TERT-BUTYL 3-METHYL 2-AMINO-4,5-DIHYDROTHIENO[2,3-C]PYRIDINE-3,6(7H)-DICARBOXYLATE
C14H20N2O4S (312.11437200000006)
tert-butyl 3-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate
TERT-BUTYL (1-(6-CHLOROPYRIMIDIN-4-YL)PIPERIDIN-4-YL)CARBAMATE
Ethyl 4,6-O-benzylidene-1-thio-b-D-glucopyranoside
C15H20O5S (312.10313900000006)
TERT-BUTYL 4-(6-CHLORO-2-METHYL-4-PYRIMIDINYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIMETHYLSILYL)FURO[3,2-B]PYRIDINE
C14H16BF3N2O2 (312.12568619999996)
5-tert-butyl 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate
C14H20N2O4S (312.11437200000006)
5,5-BIS-(4-METHOXY-PHENYL)-IMIDAZOLIDINE-2,4-DIONE
N-(3,4-dichlorophenyl)-3-azaspiro[5.5]undecan-9-amine
3-(3,4-dichlorophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane
tert-butyl [1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate
benzyl (1-(methylsulfonyl)piperidin-4-yl)carbamate
C14H20N2O4S (312.11437200000006)
[1-(2-CHLORO-PYRIMIDIN-4-YL)-PIPERIDIN-4-YL]-CARBAMIC ACID TERT-BUTYL ESTER
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].
2,3-bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile,chloride
tert-Butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate
Ethyl4,6-O-benzylidene-b-D-thiogalactopyranoside
C15H20O5S (312.10313900000006)
2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde
C14H20N2O4S (312.11437200000006)
4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester
C16H16N4O3 (312.12223459999996)
(3-BOC-AMINO-AZETIDIN-1-YL)-(1H-INDOL-2-YL)-ACETICACID
C14H20N2O4S (312.11437200000006)
2-(1-(tert-Butoxycarbonyl)piperidin-4-yl)thiazole-4-carboxylic acid
C14H20N2O4S (312.11437200000006)
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-ol
2-[1-(tert-butoxycarbonyl)-4-piperidinyl]-1,3-thiazole-4-carboxylic acid
C14H20N2O4S (312.11437200000006)
(R)-3-(3-FLUORO-4-THIOMORPHOLINOPHENYL)-5-(HYDROXYMETHYL)OXAZOLIDIN-2-ONE
C14H17FN2O3S (312.0943864000001)
4,5-BIS-(4-METHOXY-PHENYL)-1,3-DIHYDRO-IMIDAZOLE-2-THIONE
Clazolam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tri-2-propen-1-yl ester
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
5-Deoxy-5-(dimethyl-lambda~4~-sulfanyl)adenosine
C12H18N5O3S+ (312.11302980000005)
(1R,2S,4R,5S)-6-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
N-[2-(2-methylpropyl)-1,3-dioxo-5-isoindolyl]-2-furancarboxamide
2-Propenamide, N-(4-ethoxyphenyl)-3-(3-nitrophenyl)-
Ethyl 5-hydroxy-2-(phenoxymethyl)-1-benzofuran-3-carboxylate
2-Phenyl-5-sulfanylidene-3,7,8,9,10,11-hexahydropyrazolo[4,5]pyrimido[3,5-a]azepin-1-one
5-Chloro-4-[methoxy(phenyl)methyl]-1-methyl-3-phenylpyrazole
2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]oxy-N-(3-methylphenyl)acetamide
2-(3,4-Dimethoxyphenyl)-3-hydroxy-6-methylchromen-4-one
Benzoic acid, 3-methoxy-4-[(trimethylsilyl)oxy]-, trimethylsilyl ester
2-Amino-6-aminomethyl-8-phenylsulfanylmethyl-3H-quinazolin-4-one
(7R,8S)-8-amino-7-{[(phosphonooxy)carbonyl]amino}nonanoic acid
1-Ethyl-4-(methoxycarbonylmethyl)tetralin-6-sulfonic acid
C15H20O5S (312.10313900000006)
1-[2-(1,3-Benzodioxol-5-yl)-1-benzouran-5-yl]propane-1,3-diol
[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-[2-hydroxy-2-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]ethyl]oxan-3-yl]azanium
D-Glucose, 6-O-(c)micro-D-xylopyranosyl-;6-O-(c)micro-D-Xylopyranosyl-D-glucose
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dimethylpurin-9-ium-6-one
(2S)-2-Amino-3-[4-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyphenyl]propanoic acid
C14H20N2O4S (312.11437200000006)
2-[2-Hydroxy-2-(3,4,5-trihydroxyoxolan-2-yl)ethoxy]oxane-3,4,5-triol
(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.
(3-Hydroxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione
6-Amino-3-(methoxymethyl)-4-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
C16H16N4O3 (312.12223459999996)
N-benzyl-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
N-(4-chlorophenyl)-5-hex-1-ynylpyridine-3-carboxamide
N-[3-(2-benzofuranyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide
5-(3,5-Dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
6-butyl-2-(2-furyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
C16H16N4O3 (312.12223459999996)
1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide
C14H20N2O4S (312.11437200000006)
N-(4-tert-butyl-2-thiazolyl)-6-quinoxalinecarboxamide
N-(2-furanylmethyl)-1,3-dioxo-2-propyl-5-isoindolecarboxamide
N,N-dimethyl-N-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)imidoformamide
5,5-dimethyl-3-[(tosyloxy)ethyl]dihydro-2(3H)-furanone
C15H20O5S (312.10313900000006)
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-2-(methylamino)-1H-purin-9-ium-6-one
3,4,5-Trihydroxy-6-(3-phenylpropoxy)oxane-2-carboxylic acid
5-Hydroxy-7-methoxy-3-(3-methoxyphenyl)-8-methylchromen-4-one
2-[hydroxy-[(2R)-3-hydroxy-2-prop-2-enoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
C11H23NO7P+ (312.12120780000004)
(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
(2-Hydroxy-3-phosphonooxypropyl) nonanoate
C12H25O7P (312.13378300000005)
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) pentanoate
Pteroic acid
C14H12N6O3 (312.09708420000004)
(3R,4S,5S,6R)-6-(Hydroxymethyl)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,3,5-triol
Arabino-galactose
alpha-D-Xylp-(1->6)-beta-D-Glcp
An alpha-D-Xylp-(1->6)-D-Glcp in which the carbon bearing the anomeric hydroxy group has beta configuration. The disaccharide unit of xyloglucan in plant cell-walls.
6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol
Galangin 3,5,7-trimethyl ether
A trimethoxyflavone that is the 3,5,7-trimethyl ether derivative of galangin.
N(6)-(2,4-dinitrophenyl)-L-lysine
The L-stereoisomer of N(6)-(2,4-dinitrophenyl)lysine, a lysine derivative having a 2,4-dinitrophenyl substituent at the N(6)-position.
HCV-IN-31
C12H17FN6O3 (312.13461040000004)
HCV-IN-31 (compound 4) is a HCV inhibitor, with an EC50/EC95 of 15.7 μM for HCV replicon[1].