Exact Mass: 202.09937440000002
Exact Mass Matches: 202.09937440000002
Found 500 metabolites which its exact mass value is equals to given mass value 202.09937440000002,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Goltix
CONFIDENCE standard compound; INTERNAL_ID 919; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6698; ORIGINAL_PRECURSOR_SCAN_NO 6696 CONFIDENCE standard compound; INTERNAL_ID 919; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6758; ORIGINAL_PRECURSOR_SCAN_NO 6757 CONFIDENCE standard compound; INTERNAL_ID 919; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3205; ORIGINAL_PRECURSOR_SCAN_NO 3203 CONFIDENCE standard compound; INTERNAL_ID 919; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3208; ORIGINAL_PRECURSOR_SCAN_NO 3206 CONFIDENCE standard compound; INTERNAL_ID 919; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6726; ORIGINAL_PRECURSOR_SCAN_NO 6725 CONFIDENCE standard compound; INTERNAL_ID 919; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6740; ORIGINAL_PRECURSOR_SCAN_NO 6738 CONFIDENCE standard compound; INTERNAL_ID 919; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6706; ORIGINAL_PRECURSOR_SCAN_NO 6705 CONFIDENCE standard compound; INTERNAL_ID 919; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6743; ORIGINAL_PRECURSOR_SCAN_NO 6739 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 83 CONFIDENCE standard compound; EAWAG_UCHEM_ID 58 CONFIDENCE standard compound; INTERNAL_ID 4017 CONFIDENCE standard compound; INTERNAL_ID 8401 CONFIDENCE standard compound; INTERNAL_ID 2316 CONFIDENCE standard compound; INTERNAL_ID 3538
1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine
CONFIDENCE standard compound; INTERNAL_ID 1334; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2265; ORIGINAL_PRECURSOR_SCAN_NO 2263 CONFIDENCE standard compound; INTERNAL_ID 1334; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4882; ORIGINAL_PRECURSOR_SCAN_NO 4880 CONFIDENCE standard compound; INTERNAL_ID 1334; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2272; ORIGINAL_PRECURSOR_SCAN_NO 2269 CONFIDENCE standard compound; INTERNAL_ID 1334; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2332; ORIGINAL_PRECURSOR_SCAN_NO 2331 CONFIDENCE standard compound; INTERNAL_ID 1334; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4896; ORIGINAL_PRECURSOR_SCAN_NO 4892 CONFIDENCE standard compound; INTERNAL_ID 1334; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4897; ORIGINAL_PRECURSOR_SCAN_NO 4894 CONFIDENCE standard compound; INTERNAL_ID 1334; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4897; ORIGINAL_PRECURSOR_SCAN_NO 4895 CONFIDENCE standard compound; INTERNAL_ID 1334; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2287; ORIGINAL_PRECURSOR_SCAN_NO 2286 CONFIDENCE standard compound; INTERNAL_ID 1334; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2295; ORIGINAL_PRECURSOR_SCAN_NO 2291 CONFIDENCE standard compound; INTERNAL_ID 1334; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4888; ORIGINAL_PRECURSOR_SCAN_NO 4886 CONFIDENCE standard compound; INTERNAL_ID 1334; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4868; ORIGINAL_PRECURSOR_SCAN_NO 4865 CONFIDENCE standard compound; INTERNAL_ID 1334; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2275; ORIGINAL_PRECURSOR_SCAN_NO 2273 Dinotefuran is an insecticide of the neonicotinoid class, its mechanism of action involves disruption of the insect's nervous system by inhibiting nicotinic acetylcholine receptors. Target: nAChR, Antiparasitic
Sebacic acid
Sebacic acid is a saturated, straight-chain naturally occurring dicarboxylic acid with 10 carbon atoms. Sebacic acid is a normal urinary acid. In patients with multiple acyl-CoA-dehydrogenase deficiency (MADD), also known as glutaric aciduria type II (GAII), a group of metabolic disorders due to deficiency of either electron transfer flavoprotein or electron transfer flavoprotein ubiquinone oxidoreductase, biochemical data shows an increase in urine sebacic acid excretion. Sebacic acid is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency, which are inborn errors of metabolism. Sebacic acid is a white flake or powdered crystal slightly soluble in water that has been proposed as an alternative energy substrate in total parenteral nutrition. Sebacic Acid was named from the Latin sebaceus (tallow candle) or sebum (tallow) in reference to its use in the manufacture of candles. Sebacic acid and its derivatives such as azelaic acid have a variety of industrial uses as plasticizers, lubricants, hydraulic fluids, cosmetics, candles, etc. It is used in the synthesis of polyamide and alkyd resins. It is also used as an intermediate for aromatics, antiseptics and painting materials (PMID: 10556649, 1738216, 8442769, 12706375). Sebacic acid is a saturated, straight-chain naturally occurring dicarboxylic acid with 10 carbon atoms. Sebacic acid is a normal urinary acid. In patients with multiple acyl-CoA-dehydrogenase deficiency (MADD) or glutaric aciduria type II (GAII) are a group of metabolic disorders due to deficiency of either electron transfer flavoprotein or electron transfer flavoprotein ubiquinone oxidoreductase, biochemical data shows an increase in urine sebacic acid excretion. CONFIDENCE standard compound; INTERNAL_ID 671; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4109; ORIGINAL_PRECURSOR_SCAN_NO 4104 CONFIDENCE standard compound; INTERNAL_ID 671; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4132; ORIGINAL_PRECURSOR_SCAN_NO 4130 CONFIDENCE standard compound; INTERNAL_ID 671; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4118; ORIGINAL_PRECURSOR_SCAN_NO 4114 CONFIDENCE standard compound; INTERNAL_ID 671; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4132; ORIGINAL_PRECURSOR_SCAN_NO 4129 CONFIDENCE standard compound; INTERNAL_ID 671; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4099; ORIGINAL_PRECURSOR_SCAN_NO 4095 CONFIDENCE standard compound; INTERNAL_ID 671; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4127; ORIGINAL_PRECURSOR_SCAN_NO 4123 Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID S017 Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency. Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency.
Pyrene
Pyrene is a polycyclic aromatic hydrocarbon (PAH) consisting of four fused benzene rings, resulting in a flat aromatic system. The chemical formula is C16H10. This colourless solid is the smallest peri-fused PAH (one where the rings are fused through more than one face). Pyrene forms during incomplete combustion of organic compounds. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Diethyl oxalpropionate
Diethyl oxalpropionate, also known as methyloxalacetic acid diethyl ester or diethyl methyloxalacetate, is a member of the class of compounds known as beta-keto acids and derivatives. These compounds are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom. Diethyl oxalpropionate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Within the cell, diethyl oxalpropionate is primarily located in the cytoplasm. Diethyl oxalpropionate is an intermediate for poly((R,S)-3,3-dimethylmalic acid) (PDMMLA) derivative synthesis. PDMMLA derivative can be used in synthesis of nanoparticles and study of warfarin encapsulation and controlled release[1].
L-Coprine
L-Coprine is found in mushrooms. L-Coprine is present in the moderately toxic ink cap mushroom Coprinus atramentarius (common ink cap). Produces an oversensitivity to ethanol in some people Present in the mod. toxic ink cap mushroom Coprinus atramentarius (common ink cap). Produces an oversensitivity to ethanol in some people. L-Coprine is found in mushrooms.
6-Acetyl-2,2-dimethyl-2H-1-benzopyran
6-Acetyl-2,2-dimethyl-2H-1-benzopyran is a 1-benzopyran. 1-(2,2-Dimethylchromen-6-yl)ethanone is a natural product found in Ageratina altissima, Viguiera pazensis, and other organisms with data available. 6-Acetyl-2,2-dimethyl-2H-1-benzopyran is found in fats and oils. 6-Acetyl-2,2-dimethyl-2H-1-benzopyran is a constituent of Helianthus annuus (sunflower) Constituent of Helianthus annuus (sunflower). 6-Acetyl-2,2-dimethyl-2H-1-benzopyran is found in sunflower and fats and oils. Demethoxyencecalin is a chromene isolated from Helianthus annuus, has antifungal activities[1].
3-Methylazelaic acid
3-Methylazelaic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl
R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl is found in fats and oils. R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl is isolated from roots of Valeriana officinalis (valerian Isolated from roots of Valeriana officinalis (valerian). R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl is found in tea, fats and oils, and herbs and spices.
Tetrahydroharmol
Tetrahydroharmol is found in fruits. Tetrahydroharmol is an alkaloid from Elaeagnus angustifolia (Russian olive) Harmaline is a reversible inhibitor of MAO-A (RIMA). Harmine is a reversible inhibitor of MAO-A (RIMA). It is important to note that unlike synthetic pharmaceutical MAOIs such as phenelzine, harmine is reversible and selective meaning it does not have nearly as high a risk for the "cheese syndrome" caused by consuming tyramine-containing foods, which is a risk associated with monoamine oxidase A inhibitors, but not monoamine oxidase B inhibitors. Several alkaloids that function as monoamine oxidase inhibitors (MAOIs) are found in the seeds of Peganum harmala (also known as Harmal or Syrian Rue), including harmine, harmaline, and harmalol, which are members of a group of substances with a similar chemical structure collectively known as harmala alkaloids. These alkaloids are of interest for their use in Amazonian shamanism, where they are derived from other plants. The harmala alkaloid harmine which was once known as Telepathine and Banisterine is a naturally occurring beta-carboline alkaloid that is structurally related to harmaline, and also found in the vine Banisteriopsis caapi. Tetrahydroharmine is also found in B. caapi, but not P. harmala. Dr. Alexander Shulgin has suggesed that harmaline may be a breakdown product of harmine. Harmine and harmaline are reversible MAOIs of the MAO-A isoform of the enzyme, and can stimulate the central nervous system by inhibiting the metabolism of monoamine compounds such as serotonin and norepinephrine. The harmala alkaloids occur in Peganum harmala in concentrations of roughly 3\\%, though tests have documented anywhere from 2-7\\%, as natural sources tend to vary widely in chemical makeup. Harmala alkaloids are also found in the Banisteriopsis caapi vine, the key plant ingredient in the sacramental beverage Ayahuasca, in concentrations that range between 0.31-8.43\\% for harmine, 0.03-0.83\\% for harmaline and 0.05-2.94\\% for tetrahydroharmine. Other psychoactive plants are often added to Ayahuasca to achieve visionary states of consciousness; for example leaves from Psychotria viridis, which is a source of dimethyltryptamine (DMT). The harmala alkaloids serve to potentiate these brewed compounds by preventing their breakdown in the digestive tract. The harmala alkaloids are not especially psychoactive on their own, even at high dosages, when vomiting and diarrhea become the main effect
Oxalic acid dibutyl ester
Oxalic acid dibutyl ester is found in nuts. Oxalic acid dibutyl ester is a constituent of Juglans regia (walnut) and Panax ginseng (ginseng). Constituent of Juglans regia (walnut) and Panax ginseng (ginseng). Oxalic acid dibutyl ester is found in tea and nuts.
Prolyl-Serine
Prolyl-Serine is a dipeptide composed of proline and serine. 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.
Alanylhydroxyproline
Alanylhydroxyproline is a dipeptide composed of alanine and hydroxyproline. 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.
Hydroxyprolyl-Alanine
Hydroxyprolyl-Alanine is a dipeptide composed of hydroxyproline and alanine. 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.
Serylproline
Serylproline is a dipeptide composed of serine and proline. 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.
3-(3-Methylbutylidene)-1(3H)-isobenzofuranone
Minor odorous constituent of celery (Apium graveolens). 3-(3-Methylbutylidene)-1(3H)-isobenzofuranone is found in wild celery and green vegetables. 3-(3-Methylbutylidene)-1(3H)-isobenzofuranone is found in green vegetables. Minor odorous constituent of celery (Apium graveolens
N-Methyl-1H-indole-3-propanamide
N-Methyl-1H-indole-3-propanamide is found in mushrooms. N-Methyl-1H-indole-3-propanamide is produced by Omphalotus olearius (common chanterelle). Production by Omphalotus olearius (common chanterelle). N-Methyl-1H-indole-3-propanamide is found in mushrooms.
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid is found in fats and oils. 3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid is a constituent of olives (Olea europaea). Constituent of olives (Olea europaea). 3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid is found in fats and oils, herbs and spices, and fruits.
2-Amino-1,6-dimethylfuro[3,2-e]imidazo[4,5-b]pyridine
2-Amino-1,6-dimethylfuro[3,2-e]imidazo[4,5-b]pyridine is found in animal foods. 2-Amino-1,6-dimethylfuro[3,2-e]imidazo[4,5-b]pyridine is isolated from cooked meat Isolated from cooked meats. 2-Amino-1,6-dimethylfuro[3,2-e]imidazo[4,5-b]pyridine is found in animal foods.
2-Ethylsuberic acid
2-Ethylsuberic acid (CAS Number 3971-33-3) is an ethyl ester of suberic acid. Suberic acid, also octanedioic acid, is a dicarboxylic acid, with formula C8H14O4. It is a colorless crystalline solid used in drug syntheses and plastics manufacture.
Heptylmalonic acid
Heptylmalonic acid is a dicarboxylic acid that is malonic acid substituted with a heptyl group at position C-2. Malonic acid is a dicarboxylic acid. The ionized form of malonic acid, as well as its esters and salts, are known as malonates.
N-Lactoylisoleucine
N-Lactoylisoleucine is a lactoyl derivative of phenylalanine. N-Lactoyl-amino acids are ubiquitous pseudodipeptides of lactic acid and amino acids that are rapidly formed by reverse proteolysis. A protease, cytosolic nonspecific dipeptidase 2 (CNDP2), catalyzes their formation. The plasma levels of these metabolites strongly correlate with plasma levels of lactate and amino acid (PMID: 25964343).
6-Methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Ipomic acid
Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency. Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency.
[1R-(1alpha,2beta,3alpha,4alpha)]-6-(hydroxymethyl)-3-(1-methylethyl)-5-Cyclohexene-1,2,4-triol
6-Hydroxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline
Benzenemethanol, 3-(1H-imidazol-4-ylmethyl)-2-methyl-
2,3-O-Isopropylidene-beta-D-Pyranose-1,6-Anhydromannose
(5S,7S,8S,9R)-7,8-dihydroxy-Delta4,11dihyronepeta-1,3-diol|jatamanin J
(-)-(S,S)-Bisseton|(-)-bissetone|(2S,5S)-5-acetonyl-5-hydroxy-2-hydroxymethyltetrahydropyran-4-one|bissetone
4-Acetyl-2-(3-methyl-1,3-butadienyl)phenol|4-Hydroxy-3-<3-methyl-butadien-(1,3)-yl>-acetophenon
(+)-trideca-1,5t,11t-triene-7,9-diyne-3,4-diol|1,5,11-Tridecatriene-7,9-diyne-3,4-diol
(2S)-Tridec-trans-3-en-5.7.9-triin-1.2-diol|(S)-(E)-3-Tridecene-5,7,9-triyne-1,2-diol|(S)-tridec-3t-ene-5,7,9-triyne-1,2-diol
(3S,4S,5S,7S)-3-hydroxymethyl-7-methyl-1,6-dioxaspiro[4.5]-decan-4-ol|okaspirodiol
6-METHOXY-1,2,3,4-TETRAHYDRO-BETA-CARBOLINE
D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
4alpha-(3,5-dihydroxy-hexyl)-3alpha-methyl-2-oxetanone
8-carboxy-7,9-dihydroxy-trans-menthane|zantholic acid
1,2-O-Isopropylidene,3,4-anhydro-beta-D-Tagatose,,
1-Alcohol,Me ester-4-Hydroxy-3-(3-methyl-3-buten-1-ynyl)benzoic acid|4-methoxy-3-(3-methylbut-3-en-1-ynyl)benzyl alcohol|4-methoxy-3-(3-methylbut-3-en-1-ynyl)benzyl alcohol|eutypinol|methyleutypinol
Dinotefuran
D010575 - Pesticides > D007306 - Insecticides > D000073943 - Neonicotinoids D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 3108 Dinotefuran is an insecticide of the neonicotinoid class, its mechanism of action involves disruption of the insect's nervous system by inhibiting nicotinic acetylcholine receptors. Target: nAChR, Antiparasitic
Sebacic acid
An alpha,omega-dicarboxylic acid that is the 1,8-dicarboxy derivative of octane. Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency. Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency.
2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
diisopropylsuccinate
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1051
Sebacate
Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency. Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency.
2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid_major
Pro-ser
A dipeptide formed from L-proline and L-serine residues.
Ser-pro
A dipeptide formed from L-serine and L-proline residues.
Demethoxyencecalin
Demethoxyencecalin is a chromene isolated from Helianthus annuus, has antifungal activities[1].
R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl
2-Amino-1,6-dimethylfuro[3,2-e]imidazo[4,5-b]pyridine
Heptylmalonic acid
A dicarboxylic acid that is malonic acid substituted with a heptyl group at position C-2.
2-[5-(2-Hydroxypropyl)tetrahydro-2-furanyl]propanoic acid
C-[3-(3,5-DIMETHYL-PHENYL)-ISOXAZOL-5-YL]-METHYLAMINE
(S)-2-CYCLOPENTYLOXYCARBONYLAMINO-3,3-DIMETHYL-BUTYRICACID
[8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
3-(dimethylamino)-2-(4-methoxyphenyl)acrylonitrile
1-(1-ETHYL-2-METHYL-1H-BENZO[D]IMIDAZOL-5-YL)ETHANONE
3-(TRIMETHYLSILYL)ETHYNYLBENZALDEHYDE
C12H14OSi (202.08138739999998)
(3-Methoxy-1-naphthyl)boronic acid
C11H11BO3 (202.08012060000001)
(2-Methoxy-1-Naphthyl)Boronic Acid
C11H11BO3 (202.08012060000001)
N-METHYL-N-[(5-METHYL-3-PHENYLISOXAZOL-4-YL)METHYL]AMINE
(4-Methoxy-1-Naphthyl)Boronic Acid
C11H11BO3 (202.08012060000001)
3-Pyridinamine,6-butoxy-, hydrochloride (1:1)
C9H15ClN2O (202.08728499999998)
4-[(1-Imidazolyl)methyl]phenylboronic acid
C10H11BN2O2 (202.09135360000002)
β-D-Galactopyranose,1,6-anhydro-3,4-O-(1-methylethylidene)-
2-(3-Chloroprop-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
5-ISOPROPYL-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBONITRILE
(3aR,5S,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbaldehyde
2-[(TRIMETHYLSILYL)ETHYNYL]BENZALDEHYDE
C12H14OSi (202.08138739999998)
N1-(4-METHOXYPHENYL)-1,2-ETHANEDIAMINE
C9H15ClN2O (202.08728499999998)
3-Chloropropenyl-1-boronic acid pinacol ester,2-(3-Chloro-propenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
2-(2-methylphenoxy)ethylhydrazine,hydrochloride
C9H15ClN2O (202.08728499999998)
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine
4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine hydrochloride
C8H15ClN4 (202.09851799999998)
1-Benzyl-1H-pyrazole-4-boronic acid
C10H11BN2O2 (202.09135360000002)
2-(3,4-Dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one
2,3,4,5-TETRAHYDRO-8-METHOXY-1H-PYRIDO[4,3-B]INDOLE
(2-[cyclohex-3-enyl]ethyl)dimethyl chlorosilane
C10H19ClSi (202.09444839999998)
N-METHYL-(4-METHYL-2-PHENYL-1,3-OXAZOL-5-YLMETHYL)AMINE
1-(6-Aminospiro[cyclopropane-1,3-indolin]-1-yl)ethanone
4-(Dimethylphenylsilyl)-3-butyn-2-one
C12H14OSi (202.08138739999998)
4-[3-(DIMETHYLAMINO)PROP-1-YNYL]BENZALDEHYDE OXIME
1,4-dihydroxy-3,3,6,6-tetramethylpiperazine-2,5-dione
(1-(P-TOLYL)-1H-PYRAZOL-4-YL)BORONIC ACID
C10H11BN2O2 (202.09135360000002)
1H-Pyrido[4,3-b]indol-4-ol, 2,3,4,5-tetrahydro-2-methyl-
3-AZIDO-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE
3-[3-(DIMETHYLAMINO)PROP-1-YNYL]BENZALDEHYDE OXIME
N-METHYL-N-[(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)METHYL]AMINE
(2R)-2-[(ethoxycarbonyl)methyl]-4-methylpentanoic acid
1,6-ANHYDRO-2,3-O-ISOPROPYLIDENE-β-D-MANNOPYRANOSE
1,2,3,6,7,11SS-HEXAHYDRO-4H-PYRAZINO[2,1-A]ISOQUINOLINE-4-ONE
Carbamicacid,(3-oxo-4-isoxazolidinyl)-,1,1-dimethyl ethyl ester,(S)-(9CI)
4-(Trimethysilyl)-ethynylbenzaldehyde
C12H14OSi (202.08138739999998)
2-((S)-3-Hydroxy-pyrrolidin-1-ylMethyl)-benzonitrile
Benzenamine, 3-fluoro-5-(4-methyl-3-pyridinyl)- (9CI)
1-(1-Isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone
[2-(2-methoxy-phenyl)-ethyl]-hydrazine hydrochloride
C9H15ClN2O (202.08728499999998)
(6-Methoxy-2-naphthyl)boronic acid
C11H11BO3 (202.08012060000001)
1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethanone
1-(4-methoxyphenethyl)hydrazine hydrochloride
C9H15ClN2O (202.08728499999998)
Pivanex
C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer
Amezinium
C11H12N3O+ (202.09803219999998)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors
4,4-Dimethyl-3-[(trimethylsilyl)oxy]dihydro-2(3H)-furanone
N,N-dimethyl(5-(pyridin-3-yl)furan-2-yl)methanamine
CORFREE M1
Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency. Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency.
Idryl
D004791 - Enzyme Inhibitors
Pyren
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
(2S,3R)-5-azaniumyl-3-hydroxy-2-(2-oxoazetidin-1-yl)pentanoate
(2S)-2-[(4S)-4-amino-4-carboxybutyl]aziridine-2-carboxylic acid
(2E)-1-methyl-2-nitro-3-(tetrahydrofuran-3-ylmethyl)guanidine
10-Amino-7-methyl-2-aza-7-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
C11H12N3O+ (202.09803219999998)
7-Amino-1-methyl-8-oxo-3,4,5,8-tetrahydropyrrolo[4,3,2-de]quinolin-1-ium
C11H12N3O+ (202.09803219999998)
[Amino-[(4-carboxy-4-oxobutyl)amino]methylidene]-dimethylazanium
C8H16N3O3+ (202.11916060000001)
1-(2-amino-3-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
1,1a,7,7a-Tetrahydro-1a,7a-dimethyl-7-methylenebenzo[b]cyclopropa[e]thiopyran
ethyl ethoxalylpropionate
Diethyl oxalpropionate is an intermediate for poly((R,S)-3,3-dimethylmalic acid) (PDMMLA) derivative synthesis. PDMMLA derivative can be used in synthesis of nanoparticles and study of warfarin encapsulation and controlled release[1].
Scorpion
Dinotefuran is an insecticide of the neonicotinoid class, its mechanism of action involves disruption of the insect's nervous system by inhibiting nicotinic acetylcholine receptors. Target: nAChR, Antiparasitic
PYRENE
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
2-ethyloctanedioic acid
An alpha,omega-dicarboxylic acid that is suberic (octanedioic) acid bearing an ethyl substituent at position 2.
Indole-3-butyrate
An indol-3-yl carboxylic acid anion that is the conjugate base of indole-3-butyric acid, arising from the deprotonation of the carboxy group.
Coprine
A non-proteinogenic L-alpha-amino acid that is L-glutamine in which one of the hydrogens attached to the amide nitrogen is replaced by a 1-hydroxycyclopropyl group. Found in the ink-cap mushroom, Coprinus atramentarius, it causes an unpleasant hypersensitivity to alcohol (the disulfiram effect).
proclavaminic acid zwitterion
Zwitterionic form of proclavaminic acid.
ABT-418 (hydrochloride)
C9H15ClN2O (202.08728499999998)
ABT-418 hydrochloride is a potent and selective agonist of nAChRs with cognitive enhancing and anxiolytic activities. ABT-418 hydrochloride activates cholinergic channel and can be used for research of Alzheimer's disease[1][2].
4-[(3s,3as)-3h,3ah,4h,5h,6h-pyrrolo[1,2-b]pyrazol-3-yl]phenol
(2s)-2-amino-4-[(1-hydroxycyclopropyl)-c-hydroxycarbonimidoyl]butanoic acid
(2s)-2-{5-[(2s)-2-hydroxypropyl]oxolan-2-yl}propanoic acid
(1s)-1-methyl-1h,2h,3h,4h,9h-pyrido[3,4-b]indol-7-ol
1-(5-ethenyl-2-hydroxyphenyl)-3-methylbut-2-en-1-one
2-(2-thienylidene)-1,6-dioxaspiro[4.5]dec-3-ene
{"Ingredient_id": "HBIN003785","Ingredient_name": "2-(2-thienylidene)-1,6-dioxaspiro[4.5]dec-3-ene","Alias": "NA","Ingredient_formula": "C13H14O2","Ingredient_Smile": "NA","Ingredient_weight": "234.318","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9077","PubChem_id": "NA","DrugBank_id": "NA"}