Exact Mass: 202.1218
Exact Mass Matches: 202.1218
Found 500 metabolites which its exact mass value is equals to given mass value 202.1218,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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.
Asymmetric dimethylarginine
Asymmetric dimethylarginine (ADMA) is a naturally occurring chemical found in blood plasma. It is a metabolic by-product of continual protein modification processes in the cytoplasm of all human cells. It is closely related to L-arginine, a conditionally-essential amino acid. ADMA interferes with L-arginine in the production of nitric oxide, a key chemical to endothelial and hence cardiovascular health. Asymmetric dimethylarginine is created in protein methylation, a common mechanism of post-translational protein modification. This reaction is catalyzed by an enzyme set called S-adenosylmethionine protein N-methyltransferases (protein methylases I and II). The methyl groups transferred to create ADMA are derived from the methyl group donor S-adenosylmethionine, an intermediate in the metabolism of homocysteine. (Homocysteine is an important blood chemical, because it is also a marker of cardiovascular disease). After synthesis, ADMA migrates into the extracellular space and thence into blood plasma. Asymmetric dimethylarginine is measured using high performance liquid chromatography. ADMA has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Isolated from broad bean seeds (Vicia faba). NG,NG-Dimethyl-L-arginine is found in many foods, some of which are yellow wax bean, spinach, green zucchini, and white cabbage. D004791 - Enzyme Inhibitors Asymmetric dimethylarginine is an endogenous inhibitor of nitric oxide synthase (NOS), and functions as a marker of endothelial dysfunction in a number of pathological states.
2-Pentyl-3-phenyl-2-propenal
2-Pentyl-3-phenyl-2-propenal, also known as alpha-amylcinnamaldehyde or pentylcinnamaldehyde, is a member of the class of compounds known as cinnamaldehydes. Cinnamaldehydes are organic aromatic compounds containing a cinnamaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal. 2-Pentyl-3-phenyl-2-propenal is practically insoluble in water. 2-Pentyl-3-phenyl-2-propenal is a flavouring agent and has a sweet, floral, and fruity taste. It is a non-carcinogenic (not listed by IARC) potentially toxic compound.
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].
Symmetric dimethylarginine
Symmetric dimethylarginine, also known as N,n-dimethylarginine or SDMA, is a L-arginine derivative having two methyl groups at the N(omega)- and N(omega)-positions It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a member of guanidines, a non-proteinogenic L-alpha-amino acid, a L-arginine derivative and a dimethylarginine. It is a tautomer of a N(omega),N(omega)-dimethyl-L-arginine zwitterion. It belongs to the class of organic compounds known as arginine and derivatives. Arginine and derivatives are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Symmetric dimethylarginine is a drug. Outside of the human body, symmetric dimethylarginine has been detected, but not quantified in pulses. Symmetric dimethylarginine (SDMA) is an endogenously produced inhibitor of nitric oxide synthase (EC-Number 1.14.13.39). However, elevated levels of Symmetric dimethylarginine occur in patients with vascular disease, especially suffering end-stage renal disease. Isolated from broad bean (Vicia faba) seed proteins SDMA (Symmetric dimethylarginine) is an endogenous inhibitor of nitric oxide (NO) synthase activity. SDMA, a novel kidney biomarker, permits earlier diagnosis of kidney disease than traditional creatinine testing.
Alanylleucine
Alanylleucine is a dipeptide composed of alanine and leucine. 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. L-Alanyl-L-leucine is an endogenous metabolite.
Alanylisoleucine
Alanylisoleucine is a dipeptide composed of alanine and isoleucine. 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.
Leucylalanine
Leucylalanine is a dipeptide composed of leucine and alanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. L-Leucyl-L-alanine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=7298-84-2 (retrieved 2024-07-15) (CAS RN: 7298-84-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). L-Leucyl-L-alanine is a simple dipeptide composed of L-leucine and L-alanine[1]. L-Leucyl-L-alanine is a simple dipeptide composed of L-leucine and L-alanine[1].
Dictagymnin
Dictagymnin is found in herbs and spices. Dictagymnin is isolated from star anise oil. Isolated from star anise oil. Dictagymnin is found in herbs and spices.
Panaquinquecol 5
Panaquinquecol 5 is found in tea. Panaquinquecol 5 is isolated from ginseng. Isolated from ginseng. Panaquinquecol 5 is found in tea.
(±)-Anisoxide
(±)-Anisoxide is found in fruits. (±)-Anisoxide is isolated from oil of star anise (Illicium verum) after thermal fractionatio
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
Isoleucyl-Alanine
Isoleucyl-Alanine is a dipeptide composed of isoleucine 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.
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.
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.
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).
N-Acetylisoputreanine
N-acetylisoputreanine is classified as a gamma amino acid or a Gamma amino acid derivative. Gamma amino acids are amino acids having a (-NH2) group attached to the gamma carbon atom. N-acetylisoputreanine is considered to be a slightly soluble (in water) and a weak acidic compound. N-acetylisoputreanine can be found in humans.
2-amino-5-(amino-dimethylamino-methylidene)amino-pentanoic acid
6-Methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Dimethylarginine
Asymmetric dimethylarginine is an endogenous inhibitor of nitric oxide synthase (NOS), and functions as a marker of endothelial dysfunction in a number of pathological states.
(2S)-5-[Carbamimidoyl(methyl)amino]-2-(methylamino)pentanoic acid
(2S)-5-(Diaminomethylideneamino)-4-methyl-2-(methylamino)pentanoic acid
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
Dehydrochamecynenol
Chamecynone
6-Hydroxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline
Isochamaecynone
Benzenemethanol, 3-(1H-imidazol-4-ylmethyl)-2-methyl-
(Z)-form-8-Tetradecene-11,13-diyn-2-one,|(Z)-tetradeca-8-en-11,13-diyn-2-one|tetradec-8c-ene-11,13-diyn-2-one|tetradeca-8-en-11,13-diyene-2-one|tetradeca-8Z-ene-11,13-diyn-2-one
(all-E)-form-4,6,10,12-Tetradecatetraen-8-yn-2-ol,|4,6,10,12-Tetradecatetraen-8-yn-2-ol,
(5S,7S,8S,9R)-7,8-dihydroxy-Delta4,11dihyronepeta-1,3-diol|jatamanin J
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
Tetradeca-6,12-dien-8,10-diin-3-ol|tetradeca-6t,12t-diene-8,10-diyn-3-ol
6-METHOXY-1,2,3,4-TETRAHYDRO-BETA-CARBOLINE
D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
(1beta,5beta)-13-Nor-2,4(15)-eudesmadien-11-yn-1-ol
4alpha-(3,5-dihydroxy-hexyl)-3alpha-methyl-2-oxetanone
8-carboxy-7,9-dihydroxy-trans-menthane|zantholic acid
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
NG,NG,dimethylarginine
Asymmetric dimethylarginine is an endogenous inhibitor of nitric oxide synthase (NOS), and functions as a marker of endothelial dysfunction in a number of pathological states.
N,N-Dimethylarginine
D004791 - Enzyme Inhibitors Asymmetric dimethylarginine is an endogenous inhibitor of nitric oxide synthase (NOS), and functions as a marker of endothelial dysfunction in a number of pathological states.
(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
Asymmetric dimethylarginine
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; YDGMGEXADBMOMJ_STSL_0134_Asymmetric dimethylarginine_0500fmol_180430_S2_LC02_MS02_41; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
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
H-Leu-Ala-OH
L-Leucyl-L-alanine is a simple dipeptide composed of L-leucine and L-alanine[1]. L-Leucyl-L-alanine is a simple dipeptide composed of L-leucine and L-alanine[1].
Symmetric dimethylarginine
SDMA (Symmetric dimethylarginine) is an endogenous inhibitor of nitric oxide (NO) synthase activity. SDMA, a novel kidney biomarker, permits earlier diagnosis of kidney disease than traditional creatinine testing.
Demethoxyencecalin
Demethoxyencecalin is a chromene isolated from Helianthus annuus, has antifungal activities[1].
R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl
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
Silane, [(1-ethoxy-2,3-dimethylcyclopropyl)oxy]trimethyl- (9CI)
7-(1,1-dimethylethyl)-3,4-dihydro-1(2H)-naphthalenone
C-[3-(3,5-DIMETHYL-PHENYL)-ISOXAZOL-5-YL]-METHYLAMINE
3-[4-(2-HYDROXY-ETHYL)-PIPERAZIN-1-YL]-PROPIONIC ACID
[8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
1-Piperazinecarboxylicacid, 4-(2-hydroxyethyl)-, ethyl ester
3-(dimethylamino)-2-(4-methoxyphenyl)acrylonitrile
1-(1-ETHYL-2-METHYL-1H-BENZO[D]IMIDAZOL-5-YL)ETHANONE
N-METHYL-N-[(5-METHYL-3-PHENYLISOXAZOL-4-YL)METHYL]AMINE
tert-butyl 3-(aminomethyl)-3-hydroxyazetidine-1-carboxylate
trans-3-Amino-4-hydroxy-1-pyrrolidinecarboxylicacidtert-butylester
trans-3-Hydroxy-1-propenylboronic acid pinacol ester
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine
Carbamic acid, [2-(acetylamino)ethyl]-, 1,1-dimethylethyl ester (9CI)
3-(3-piperidinyl)[1,2,4]triazolo[4,3-a]pyridine(SALTDATA: FREE)
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
N-METHYL-(4-METHYL-2-PHENYL-1,3-OXAZOL-5-YLMETHYL)AMINE
TERT-BUTYL 3-AMINO-4-HYDROXYPYRROLIDINE-1-CARBOXYLATE
1-(6-Aminospiro[cyclopropane-1,3-indolin]-1-yl)ethanone
tert-Butyl (1-amino-2-methyl-1-oxopropan-2-yl)carbamate
4-[3-(DIMETHYLAMINO)PROP-1-YNYL]BENZALDEHYDE OXIME
N-methyl-1-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine
tert-butyl (3S,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate
TERT-BUTYL (2-(DIMETHYLAMINO)-2-OXOETHYL)CARBAMATE
1H-Pyrido[4,3-b]indol-4-ol, 2,3,4,5-tetrahydro-2-methyl-
3-[3-(DIMETHYLAMINO)PROP-1-YNYL]BENZALDEHYDE OXIME
N-METHYL-N-[(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)METHYL]AMINE
N-METHYL-N-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZYL]AMINE
(2R)-2-[(ethoxycarbonyl)methyl]-4-methylpentanoic acid
1,2,3,6,7,11SS-HEXAHYDRO-4H-PYRAZINO[2,1-A]ISOQUINOLINE-4-ONE
2-Methyl-2-propanyl [(3R,4R)-4-hydroxy-3-pyrrolidinyl]carbamate
(1R*,2S*)-2-Isopropenyl-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
2-((S)-3-Hydroxy-pyrrolidin-1-ylMethyl)-benzonitrile
1-(1-Isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone
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.
(±)-Anisoxide
(±)-Anisoxide is found in fruits. (±)-Anisoxide is isolated from oil of star anise (Illicium verum) after thermal fractionatio
(2S)-2-{[(2S)-2-azaniumylpropanoyl]amino}-4-methylpentanoate
(2S)-2-azaniumyl-5-(N,N-dimethylcarbamimidamido)pentanoate
(2E)-1-methyl-2-nitro-3-(tetrahydrofuran-3-ylmethyl)guanidine
[Amino-[(4-carboxy-4-oxobutyl)amino]methylidene]-dimethylazanium
N(omega),N(omega)-dimethyl-L-arginine
A L-arginine derivative having two methyl groups at the N(omega)- and N(omega)-positions
2-ethyloctanedioic acid
An alpha,omega-dicarboxylic acid that is suberic (octanedioic) acid bearing an ethyl substituent at position 2.
2-Amino-5-(amino-dimethylamino-methylidene)amino-pentanoic acid
Ala-Leu zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Leu.
N(Omega),N(omega)-dimethyl-L-arginine
A L-arginine derivative having two methyl groups both attached to the primary amino moiety of the guanidino group.
N(omega),N(omega)-dimethyl-L-arginine zwitterion
An amino acid zwitterion obtained from N(omega),N(omega)-dimethyl-L-arginine by transfer of a proton from the carboxylic acid group to the alpha-amino group.
4-[(3s,3as)-3h,3ah,4h,5h,6h-pyrrolo[1,2-b]pyrazol-3-yl]phenol
1-methyl-7-(prop-1-en-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
5-[(1e,3e)-hepta-1,3-dien-1-yl]-6-methylidenecyclohex-2-en-1-one
(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
3,3-Dimethyl allyl-p-propenyl phenyl ether
{"Ingredient_id": "HBIN007182","Ingredient_name": "3,3-Dimethyl allyl-p-propenyl phenyl ether","Alias": "1-[(3-Methyl-2-butenyl)oxy]-4-[(1E)-1-propenyl]benzene #; 1-(3-methylbut-2-enoxy)-4-prop-1-enyl-benzene; Benzene, 1-(3-methyl-2-butenoxy)-4-(1-propenyl)-; UNII-QO3391G00A; Foeniculin, (E)-; (E)-Foeniculin; 1-(3-Methyl-2-butenyloxy)-4-(1-propenyl)benzene; 1-(3-Methyl-2-butenoxy)-4-(1-propenyl)benzene; DTXSID20228921; 1-(3-methylbut-2-enoxy)-4-prop-1-enylbenzene; 78259-41-3; QO3391G00A; JGELFJUQMIUNOO-SNAWJCMRSA-N; 1-(3-methylbut-2-enoxy)-4-[(E)-prop-1-enyl]benzene; 3,3-dimethyl allyl-p-propenyl phenyl ether; AC1NSUUD","Ingredient_formula": "C14H18O","Ingredient_Smile": "CC=CC1=CC=C(C=C1)OCC=C(C)C","Ingredient_weight": "202.29 g/mol","OB_score": "18.11340093","CAS_id": "NA","SymMap_id": "SMIT00925","TCMID_id": "6309","TCMSP_id": "MOL003995","TCM_ID_id": "NA","PubChem_id": "5316879","DrugBank_id": "NA"}
