Exact Mass: 252.0957

Exact Mass Matches: 252.0957

Found 500 metabolites which its exact mass value is equals to given mass value 252.0957, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Benzo[a]pyrene

pentacyclo[10.6.2.0^{2,7}.0^{9,19}.0^{16,20}]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene

C20H12 (252.0939)


Benzo[a]pyrene appears as a liquid. Presents a threat to the environment. Immediate steps should be taken to limits its spread to the environment. Easily penetrates the soil and contaminates groundwater or nearby waterways. Benzo[a]pyrene is an ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. It has a role as a carcinogenic agent and a mouse metabolite. Benzo[a]pyrene is a natural product found in Angelica sinensis and Homo sapiens with data available. 3,4-Benzpyrene is a crystalline, aromatic hydrocarbon consisting of five fused benzene rings and formed during the incomplete combustion of organic matter. 3,4-Benzpyrene is primarily found in gasoline and diesel exhaust, cigarette smoke, coal tar and coal tar pitch, charcoal-broiled foods and certain other foods, amino acids, fatty acids and carbohydrate pyrolysis products, soot smoke, creosote oil, petroleum asphalt and shale oils. This substance is used only for research purposes. 3,4-Benzpyrene is reasonably anticipated to be a human carcinogen. (NCI05) Benzo[a]pyrene is one of over 100 different polycyclic aromatic hydrocarbons (PAHs). PAHs are chemicals that are formed during the incomplete burning organic substances, such as fossil fuels. They are usually found as a mixture containing two or more of these compounds. It is one ingredient of cigarette. (L10) A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke. See also: Tobacco Leaf (part of) ... View More ... Benzo[a]pyrene, also known as 3,4-Benzopyrene or 3,4-BP, is classified as a member of the Benzopyrenes. Benzopyrenes are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system. Benzo[a]pyrene is formally rated as a carcinogenic (IARC 1) potentially toxic compound. Benzo[a]pyrene is a crystalline, aromatic hydrocarbon consisting of five fused benzene rings and formed during the incomplete combustion of organic matter. Benzo[a]pyrene is primarily found in gasoline and diesel exhaust, cigarette smoke, coal tar and coal tar pitch, charcoal-broiled foods and certain other foods, amino acids, fatty acids and carbohydrate pyrolysis products, soot smoke, creosote oil, petroleum asphalt and shale oils. This substance is used only for research purposes. Benzo[a]pyrene is reasonably anticipated to be a human carcinogen (NCI05). Its diol epoxide metabolites (more commonly known as BPDE) react and bind to DNA, resulting in mutations and eventually cancer. It is listed as a Group 1 carcinogen by the IARC. In the 18th century a scrotal cancer of chimney sweepers, the chimney sweeps carcinoma, was already connected to soot. [Wikipedia] An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. Benzo[a]pyrene shows lung carcinogenicity in animal models, and it is frequently used in chemoprevention studies. Benzo[a]pyrene shows lung carcinogenicity in animal models, and it is frequently used in chemoprevention studies.

   

Trinexapac-ethyl

Ethyl (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylic acid

C13H16O5 (252.0998)


   

Oxcarbazepine

9-oxo-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide

C15H12N2O2 (252.0899)


Oxcarbazepine is structurally a derivative of carbamazepine, adding an extra oxygen atom to the benzylcarboxamide group. This difference helps reduce the impact on the liver of metabolizing the drug, and also prevents the serious forms of anemia occasionally associated with carbamazepine. Aside from this reduction in side effects, it is thought to have the same mechanism as carbamazepine - sodium channel inhibition - and is generally used to treat partial seizures in epileptic children and adults. D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AF - Carboxamide derivatives D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D049990 - Membrane Transport Modulators

   

Carbamazepine-10,11-epoxide

3-oxa-11-azatetracyclo[10.4.0.0²,⁴.0⁵,¹⁰]hexadeca-1(16),5,7,9,12,14-hexaene-11-carboxamide

C15H12N2O2 (252.0899)


Carbamazepine-10,11-epoxide is a metabolite of carbamazepine. Carbamazepine (CBZ) is an anticonvulsant and mood-stabilizing drug used primarily in the treatment of epilepsy and bipolar disorder, as well as trigeminal neuralgia. (Wikipedia) CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1073 CONFIDENCE standard compound; EAWAG_UCHEM_ID 916 CONFIDENCE standard compound; INTERNAL_ID 2038

   

Deoxyinosine

9-(2-Deoxy-beta-delta-erythro-pentofuranosyl)-1,9-dihydro-6H-purin-6-one

C10H12N4O4 (252.0859)


Deoxyinosine is a nucleoside that is formed when hypoxanthine is attached to a deoxyribose ring (also known as a ribofuranose) via a beta-N9-glycosidic bond. Deoxyinosine is found in DNA while inosine is found in RNA. Inosine is a nucleic acid important for RNA editing. Adenosine deaminase (ADA) catalyzes the conversion of adenosine and deoxyadenosine to inosine and deoxyinosine, respectively. ADA-deficient individuals suffer from severe combined immunodeficiency (SCID) and are unable to produce significant numbers of mature T or B lymphocytes. This occurs as a consequence of the accumulation of ADA substrates or their metabolites. Inosine is also an intermediate in a chain of purine nucleotides reactions required for muscle movements. Moreover, deoxyinosine is found to be associated with purine nucleoside phosphorylase (PNP) deficiency, which is an inborn error of metabolism. Isolated from Phaseolus vulgaris (kidney bean). 2-Deoxyinosine is found in pulses, yellow wax bean, and green bean. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2’-deoxyadenosine inhibits the growth of human colon-carcinoma cell lines and is found to be associated with purine nucleoside phosphorylase (PNP) deficiency. 2’-deoxyadenosine inhibits the growth of human colon-carcinoma cell lines and is found to be associated with purine nucleoside phosphorylase (PNP) deficiency.

   

Phenytoin

5,5-Diphenyltetrahydro-1H-2,4-imidazoledione

C15H12N2O2 (252.0899)


An anticonvulsant that is used in a wide variety of seizures. It is also an anti-arrhythmic and a muscle relaxant. The mechanism of therapeutic action is not clear, although several cellular actions have been described including effects on ion channels, active transport, and general membrane stabilization. The mechanism of its muscle relaxant effect appears to involve a reduction in the sensitivity of muscle spindles to stretch. Phenytoin has been proposed for several other therapeutic uses, but its use has been limited by its many adverse effects and interactions with other drugs. [PubChem] CONFIDENCE standard compound; INTERNAL_ID 827; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3943; ORIGINAL_PRECURSOR_SCAN_NO 3941 CONFIDENCE standard compound; INTERNAL_ID 920; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3971; ORIGINAL_PRECURSOR_SCAN_NO 3969 CONFIDENCE standard compound; INTERNAL_ID 920; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3970; ORIGINAL_PRECURSOR_SCAN_NO 3969 CONFIDENCE standard compound; INTERNAL_ID 827; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3970; ORIGINAL_PRECURSOR_SCAN_NO 3969 CONFIDENCE standard compound; INTERNAL_ID 920; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3951; ORIGINAL_PRECURSOR_SCAN_NO 3950 CONFIDENCE standard compound; INTERNAL_ID 920; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3943; ORIGINAL_PRECURSOR_SCAN_NO 3941 CONFIDENCE standard compound; INTERNAL_ID 827; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3985; ORIGINAL_PRECURSOR_SCAN_NO 3983 CONFIDENCE standard compound; INTERNAL_ID 827; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3971; ORIGINAL_PRECURSOR_SCAN_NO 3969 CONFIDENCE standard compound; INTERNAL_ID 827; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3951; ORIGINAL_PRECURSOR_SCAN_NO 3950 CONFIDENCE standard compound; INTERNAL_ID 920; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3953; ORIGINAL_PRECURSOR_SCAN_NO 3948 CONFIDENCE standard compound; INTERNAL_ID 827; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3953; ORIGINAL_PRECURSOR_SCAN_NO 3948 CONFIDENCE standard compound; INTERNAL_ID 920; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3985; ORIGINAL_PRECURSOR_SCAN_NO 3983 D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AB - Hydantoin derivatives D065693 - Cytochrome P-450 Enzyme Inducers > D065694 - Cytochrome P-450 CYP1A2 Inducers C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants CONFIDENCE standard compound; EAWAG_UCHEM_ID 3319 D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker

   

Benzo[b]fluoranthene

pentacyclo[10.7.1.0²,⁷.0⁸,²⁰.0¹³,¹⁸]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene

C20H12 (252.0939)


   

Benzo[k]fluoranthene

pentacyclo[10.7.1.0^{2,11}.0^{4,9}.0^{16,20}]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene

C20H12 (252.0939)


   

Nebularine

2-(hydroxymethyl)-5-(9H-purin-9-yl)oxolane-3,4-diol

C10H12N4O4 (252.0859)


Nebularine, also known as purine riboside is found in mushrooms. Nebularine can be isolated from the mushroom Clitocybe nebularis (clouded agaric). Nebularine is a nucleoside analog that is used in a variety of enzyme studies. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents KEIO_ID P081; [MS2] KO009216 KEIO_ID P081

   

2-Hydroxycarbamazepine

2-Hydroxycarbamazepine

C15H12N2O2 (252.0899)


CONFIDENCE standard compound; INTERNAL_ID 4111 CONFIDENCE standard compound; INTERNAL_ID 2347

   

Cycasin

(Z)-methyl-oxido-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylimino]azanium

C8H16N2O7 (252.0957)


Cycasin is an alkaloid from seeds of the false sago Cycas circinalis and sago cycas Cycas revoluta (Cycadaceae). Carcinogen of significance in human nutrition; but in practice the toxin is present in the seeds of the plant and the pith is used as a food source. Isolated from human milk D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009498 - Neurotoxins

   

3-Hydroxyhexobarbital

5-(3-hydroxycyclohex-1-en-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione

C12H16N2O4 (252.111)


   

Benzo[e]pyrene

pentacyclo[10.6.2.0^{2,7}.0^{8,20}.0^{15,19}]icosa-1(18),2,4,6,8,10,12(20),13,15(19),16-decaene

C20H12 (252.0939)


   

3-Hydroxycarbamazepine

5-hydroxy-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide

C15H12N2O2 (252.0899)


3-Hydroxycarbamazepine is a metabolite of carbamazepine. Carbamazepine (CBZ) is an anticonvulsant and mood-stabilizing drug used primarily in the treatment of epilepsy and bipolar disorder, as well as trigeminal neuralgia. (Wikipedia)

   

Benz(j)aceanthrylene

Benz(j)aceanthrylene

C20H12 (252.0939)


   

Benz[j]fluoranthene

7,8-Benzfluoranthene

C20H12 (252.0939)


   

Benz(l)aceanthrylene

Benz(l)aceanthrylene

C20H12 (252.0939)


   

BENZO(A)FLUORANTHENE

Benzo[a]aceanthrylene

C20H12 (252.0939)


   

Perylene

Dibenz[de,KL]anthracene

C20H12 (252.0939)


   

Anatoxin a(s)

Phosphoric acid, mono[(5S)-2-amino-5-[(dimethylamino)methyl]-4,5-dihydro-1H-imidazol-1-yl] monomethyl ester

C7H17N4O4P (252.0987)


   

grandinol

2,4,6-Trihydroxy-3-methyl-5-(3-methylbutanoyl)benzaldehyde

C13H16O5 (252.0998)


   

5-Deoxyinosine

5-Deoxyinosine

C10H12N4O4 (252.0859)


A 5-deoxyribonucleoside in which hypoxanthine is attached to 5-deoxyribofuranose via a beta-N(9)-glycosidic bond.

   

Purine nucleoside

Purine nucleoside

C10H12N4O4 (252.0859)


   

Methyl 3,4,5-trimethoxycinnamate

2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester, (2E)-

C13H16O5 (252.0998)


Methyl-3,4,5-trimethoxy cinnamate is an alkyl cinnamate obtained by the formal condensation of the carboxy group of 3,4,5-trimethoxycinnamic acid with methanol. It is a member of methoxybenzenes and an alkyl cinnamate. Methyl 3,4,5-trimethoxycinnamate is a natural product found in Hedysarum polybotrys, Piper arborescens, and other organisms with data available. Methyl 3,4,5-trimethoxycinnamate is found in herbs and spices. Methyl 3,4,5-trimethoxycinnamate is isolated from Piper longum (long pepper) and other plant species. Isolated from Piper longum (long pepper) and other plant subspecies Methyl 3,4,5-trimethoxycinnamate is found in herbs and spices.

   

Alanyltyrosine

(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanoic acid

C12H16N2O4 (252.111)


Alanyltyrosine is a dipeptide composed of alanine 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.

   

Tyrosyl-Alanine

2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}propanoate

C12H16N2O4 (252.111)


Tyrosyl-Alanine is a dipeptide composed of tyrosine 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.

   

1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione

1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione

C13H16O5 (252.0998)


1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione is found in herbs and spices. 1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione is a constituent of Eugenia caryophyllata (clove) oil

   

3'-Hydroxyhexobarbital

5-(3-hydroxycyclohex-1-en-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione

C12H16N2O4 (252.111)


3-Hydroxyhexobarbital is only found in individuals that have used or taken Hexobarbital. 3-Hydroxyhexobarbital is a metabolite of Hexobarbital. 3-hydroxyhexobarbital belongs to the family of Barbituric Acid Derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.

   

Pterosin J

6-(2-Chloroethyl)-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-1H-inden-1-one

C14H17ClO2 (252.0917)


Isolated from Pteridium aquilinum (bracken fern). Pterosin J is found in green vegetables and root vegetables. Pterosin J is found in green vegetables. Pterosin J is isolated from Pteridium aquilinum (bracken fern).

   

Methylhalfordinol

3-[5-(4-Methoxyphenyl)-2-oxazolyl]pyridine, 9ci

C15H12N2O2 (252.0899)


Methylhalfordinol is found in fruits. Methylhalfordinol is an alkaloid from ripe fruits of Aegle marmelos (bael fruit) and the aerial parts of Triphasia trifolia (limeberry). Alkaloid from ripe fruits of Aegle marmelos (bael fruit) and the aerial parts of Triphasia trifolia (limeberry). Methylhalfordinol is found in fruits.

   

Phenylalanylserine

(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxypropanoic acid

C12H16N2O4 (252.111)


Phenylalanylserine is a dipeptide composed of phenylalanine and serine. 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-Phenylalanyl-L-serine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=16053-39-7 (retrieved 2024-07-15) (CAS RN: 16053-39-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Serylphenylalanine

(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-phenylpropanoic acid

C12H16N2O4 (252.111)


Serylphenylalanine is a dipeptide composed of serine and phenylalanine. 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.

   

Epoxy-hexobarbital

1,5-dimethyl-5-{7-oxabicyclo[4.1.0]heptan-1-yl}-1,3-diazinane-2,4,6-trione

C12H16N2O4 (252.111)


Epoxy-hexobarbital is only found in individuals that have used or taken Hexobarbital. Epoxy-hexobarbital is a metabolite of Hexobarbital. Epoxy-hexobarbital belongs to the family of Barbituric Acid Derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.

   

4-Hydroxyvalerylcarnitine

({3-carboxy-2-[(4-hydroxypentanoyl)oxy]propyl}dimethylazaniumyl)methylidyne

C12H14NO5 (252.0872)


4-Hydroxyvalerylcarnitine is an acylcarnitine. More specifically, it is an 4-hydroxypentanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 4-Hydroxyvalerylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 4-Hydroxyvalerylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular 4-Hydroxyvalerylcarnitine is elevated in the blood or plasma of individuals with 3-hydroxy-3-methylglutaryl-coenzyme A lyase deficiency (PMID: 28583327) and holocarboxylase synthetase deficiency (PMID: 27114915). It is also decreased in the blood or plasma of individuals with psoriasis (PMID: 33391503). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

4-(3-Phosphonopropyl)piperazine-2-carboxylic acid

3-(2-Carboxypiperazin-4-yl)propyl-1-phosphonic acid

C8H17N2O5P (252.0875)


   

4-(7-Hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)benzonitrile

4-(7-Hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)benzonitrile

C14H12N4O (252.1011)


   

3-Phenoxypropylene di(acetate)

1-(Acetyloxy)-3-phenoxypropan-2-yl acetic acid

C13H16O5 (252.0998)


   

3'-Deoxyinosine

9-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one

C10H12N4O4 (252.0859)


   

1-Butyl-3-(pyridine-4-carbonylamino)thiourea

N-[(butylcarbamothioyl)amino]pyridine-4-carboxamide

C11H16N4OS (252.1045)


   

9-Oxo-10-acridineacetic acid

Acridone N-methyl-N-(alpha,D-glucopyranosyl)ammonium 10-methylenecarboxylate

C15H12N2O2 (252.0899)


D007155 - Immunologic Factors > D007369 - Interferon Inducers

   

Amdoxovir

[4-(2,6-diamino-9H-purin-9-yl)-1,3-dioxolan-2-yl]methanol

C9H12N6O3 (252.0971)


   

Cndac

2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolane-3-carbonitrile

C10H12N4O4 (252.0859)


   

Glucose propionate

2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)oxan-2-yl propanoic acid

C9H16O8 (252.0845)


   

H-beta-Ala-Tyr-OH

2-[(3-Amino-1-hydroxypropylidene)amino]-3-(4-hydroxyphenyl)propanoate

C12H16N2O4 (252.111)


   

S-Methyl-KE-298

4-(4-Methylphenyl)-2-[(methylsulphanyl)methyl]-4-oxobutanoic acid

C13H16O3S (252.082)


   

[(2R,3S,4R,5R)-3,4,5,6-Tetrahydroxy-1-oxohexan-2-yl] 2-hydroxypropanoate

[(2R,3S,4R,5R)-3,4,5,6-Tetrahydroxy-1-oxohexan-2-yl] 2-hydroxypropanoic acid

C9H16O8 (252.0845)


   

Thymine dimer

4a,4b-dimethyl-dodecahydro-1,3,6,8-tetraazabiphenylene-2,4,5,7-tetrone

C10H12N4O4 (252.0859)


   

Uracil analogue

1-[4,5-bis(hydroxymethyl)bicyclo[3.1.0]hexan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

C12H16N2O4 (252.111)


   

Alanyl-Tyrosine

2-[(2-amino-1-hydroxypropylidene)amino]-3-(4-hydroxyphenyl)propanoic acid

C12H16N2O4 (252.111)


   

Pyrenochaetic acid B

Pyrenochaetic acid B

C13H16O5 (252.0998)


   

Leiocarpin C

Leiocarpin C

C13H16O5 (252.0998)


   

Descurainolide A

Descurainolide A

C13H16O5 (252.0998)


   

Sinapic acid ethyl ester

Sinapic acid ethyl ester

C13H16O5 (252.0998)


   

3-O-Acetylniduloic acid

3-O-Acetylniduloic acid

C13H16O5 (252.0998)


   

3-Methoxy-3-epiradicinol

(-)-3-Methoxy-3-epiradicinol

C13H16O5 (252.0998)


   

Dihydrocitrinin

Dihydrocitrinin

C13H16O5 (252.0998)


   

(+)-Garvensintriol

(+)-Garvensintriol

C13H16O5 (252.0998)


   

Procyazine

Procyazine

C10H13ClN6 (252.089)


CONFIDENCE standard compound; INTERNAL_ID 1227; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3705; ORIGINAL_PRECURSOR_SCAN_NO 3703 CONFIDENCE standard compound; INTERNAL_ID 1227; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3707; ORIGINAL_PRECURSOR_SCAN_NO 3705 CONFIDENCE standard compound; INTERNAL_ID 1227; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3700; ORIGINAL_PRECURSOR_SCAN_NO 3698 CONFIDENCE standard compound; INTERNAL_ID 1227; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3716; ORIGINAL_PRECURSOR_SCAN_NO 3711 CONFIDENCE standard compound; INTERNAL_ID 1227; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3712; ORIGINAL_PRECURSOR_SCAN_NO 3707 CONFIDENCE standard compound; INTERNAL_ID 1227; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7864; ORIGINAL_PRECURSOR_SCAN_NO 7862 CONFIDENCE standard compound; INTERNAL_ID 1227; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7870; ORIGINAL_PRECURSOR_SCAN_NO 7866 CONFIDENCE standard compound; INTERNAL_ID 1227; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7885; ORIGINAL_PRECURSOR_SCAN_NO 7882 CONFIDENCE standard compound; INTERNAL_ID 1227; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7886; ORIGINAL_PRECURSOR_SCAN_NO 7883 CONFIDENCE standard compound; INTERNAL_ID 1227; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7900; ORIGINAL_PRECURSOR_SCAN_NO 7898 CONFIDENCE standard compound; INTERNAL_ID 1227; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7908; ORIGINAL_PRECURSOR_SCAN_NO 7903

   

6-Amino-3-methyl-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-Amino-3-methyl-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C14H12N4O (252.1011)


   
   
   

Maybridge3_002603

Maybridge3_002603

C12H16N2O4 (252.111)


   

2-Methyl-5-methoxy-7-hydroxy-8-(2-hydroxyethyl)-2,3-dihydro-4H-1-benzopyran-4-one

2-Methyl-5-methoxy-7-hydroxy-8-(2-hydroxyethyl)-2,3-dihydro-4H-1-benzopyran-4-one

C13H16O5 (252.0998)


   
   

plumeridin B

plumeridin B

C13H16O5 (252.0998)


   

N5-(4-Hydroxybenzyl)-glutamin|N5-(4-hydroxybenzyl)glutamine

N5-(4-Hydroxybenzyl)-glutamin|N5-(4-hydroxybenzyl)glutamine

C12H16N2O4 (252.111)


   

4-O-((1S)-1-carboxyethyl)-D-mannose|4-O-(1-Carboxyethyl)mannose|4-O-(1-carboxyethyl)-D-mannose|4-O-(1-carboxyethyl)mannose|4-O-<1-carboxyethyl>mannose

4-O-((1S)-1-carboxyethyl)-D-mannose|4-O-(1-Carboxyethyl)mannose|4-O-(1-carboxyethyl)-D-mannose|4-O-(1-carboxyethyl)mannose|4-O-<1-carboxyethyl>mannose

C9H16O8 (252.0845)


   

SCHEMBL10993604

SCHEMBL10993604

C15H12N2O2 (252.0899)


   

106897-08-9

106897-08-9

C13H16O5 (252.0998)


   
   

3-(4-Hydroxy-3,5-dimethoxy-phenyl)-acrylic acid ethyl ester

3-(4-Hydroxy-3,5-dimethoxy-phenyl)-acrylic acid ethyl ester

C13H16O5 (252.0998)


   

(+)-calopin|calopin

(+)-calopin|calopin

C13H16O5 (252.0998)


   

(S)-3-ethyl-5,6,7- trimethoxyphfhalide

(S)-3-ethyl-5,6,7- trimethoxyphfhalide

C13H16O5 (252.0998)


   

2-(1,2-dihydroxyisopropyl)-5,6-dimethoxybenzofuran|2-(5,6-dimethoxy-benzofuran-2-yl)-propane-1,2-diol

2-(1,2-dihydroxyisopropyl)-5,6-dimethoxybenzofuran|2-(5,6-dimethoxy-benzofuran-2-yl)-propane-1,2-diol

C13H16O5 (252.0998)


   

1-Ethoxy-3,4-dihydro-8-hydroxy-6-methoxy-1H-2-benzopyran-7-carboxaldehyde|emehetin

1-Ethoxy-3,4-dihydro-8-hydroxy-6-methoxy-1H-2-benzopyran-7-carboxaldehyde|emehetin

C13H16O5 (252.0998)


   

4,8-dihydroxy-7-(2-hydroxy-ethyl)-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

4,8-dihydroxy-7-(2-hydroxy-ethyl)-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

C13H16O5 (252.0998)


   

4,5-dihydro-9-methoxycanthin-6-one|9-methoxycanthin-6-one

4,5-dihydro-9-methoxycanthin-6-one|9-methoxycanthin-6-one

C15H12N2O2 (252.0899)


   

[4-(1-acetyloxyethyl)-2-methoxyphenyl] acetate

[4-(1-acetyloxyethyl)-2-methoxyphenyl] acetate

C13H16O5 (252.0998)


   

2,6-dihydroxy-3-isobutyryl-4-methoxy-5-methylbenzaldehyde

2,6-dihydroxy-3-isobutyryl-4-methoxy-5-methylbenzaldehyde

C13H16O5 (252.0998)


   

(2-glyceryl)-O-coniferaldehyde

(2-glyceryl)-O-coniferaldehyde

C13H16O5 (252.0998)


   

Methyl 2,4,5-trimethoxycinnamate

Methyl 2,4,5-trimethoxycinnamate

C13H16O5 (252.0998)


   
   

(pyrimidin-2,5-diyl)-bis-propionic acid dimethyl ester

(pyrimidin-2,5-diyl)-bis-propionic acid dimethyl ester

C12H16N2O4 (252.111)


   

cis-2,2-dimethyl-3,4,7-trihydroxy-6-acetylchroman

cis-2,2-dimethyl-3,4,7-trihydroxy-6-acetylchroman

C13H16O5 (252.0998)


   

2,3-bis(hydroxymethyl)-7-hydroxy-6-methoxy-1-tetralone

2,3-bis(hydroxymethyl)-7-hydroxy-6-methoxy-1-tetralone

C13H16O5 (252.0998)


A member of the class of tetralins that is 3,4-dihydronaphthalen-1(2H)-one substituted by a hydroxy group at position 7, two hydroxymethyl groups at positions 2 and 4 and a methoxy group at position 6. It has been isolated from Taxus yunnanensis. D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors

   

((3S)-4,6,7,9-tetrahydro-1H,3H-dipyrano[3,4-b;4,3-e]pyrazine-3r,7t-diyl)-bis-methanol|(3S)-3r,7t-bis-hydroxymethyl-4,6,7,9-tetrahydro-1H,3H-dipyrano[3,4-b;4,3-e]pyrazine|(S,S)-isopalythazine|Isopalythazin|isopalythazine

((3S)-4,6,7,9-tetrahydro-1H,3H-dipyrano[3,4-b;4,3-e]pyrazine-3r,7t-diyl)-bis-methanol|(3S)-3r,7t-bis-hydroxymethyl-4,6,7,9-tetrahydro-1H,3H-dipyrano[3,4-b;4,3-e]pyrazine|(S,S)-isopalythazine|Isopalythazin|isopalythazine

C12H16N2O4 (252.111)


   

L-N-<2-(3-pyridyl)ethyl>-glutamic acid|L-N-[2-(3-pyridyl)ethyl]-glutamic acid|N-<2-(3-pyridyl)ethyl>-L-glutamic acid

L-N-<2-(3-pyridyl)ethyl>-glutamic acid|L-N-[2-(3-pyridyl)ethyl]-glutamic acid|N-<2-(3-pyridyl)ethyl>-L-glutamic acid

C12H16N2O4 (252.111)


   

5-Methoxycanthin-6-one

5-Methoxycanthin-6-one

C15H12N2O2 (252.0899)


   

2,3-Dihydro-12,13-dihydroxyeuparin

1-[2-(1,2-dihydroxypropan-2-yl)-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl]ethan-1-one

C13H16O5 (252.0998)


   

(+)-(7S,8R,8R)-4,8-dihydroxy-3-methoxy-1,2,3,4,5,6-hexanorligna-7,7-lactone

(+)-(7S,8R,8R)-4,8-dihydroxy-3-methoxy-1,2,3,4,5,6-hexanorligna-7,7-lactone

C13H16O5 (252.0998)


   

methyl 7-hydroxyanodendroate

methyl 7-hydroxyanodendroate

C13H16O5 (252.0998)


   

3-ethoxy-4-hydroxymethyl-7-methoxy-6-methyl-3H-isobenzofuran-1-one|dihydrogladiolic acid ethyl lactal

3-ethoxy-4-hydroxymethyl-7-methoxy-6-methyl-3H-isobenzofuran-1-one|dihydrogladiolic acid ethyl lactal

C13H16O5 (252.0998)


   

cowaphloroglucinol

cowaphloroglucinol

C13H16O5 (252.0998)


   

H-|A-ALA-TYR-OH

H-|A-ALA-TYR-OH

C12H16N2O4 (252.111)


   

5-hydroxy-6-(2-hydroxyethyl)-7-methoxy-2-methylchroman-4-one

5-hydroxy-6-(2-hydroxyethyl)-7-methoxy-2-methylchroman-4-one

C13H16O5 (252.0998)


   

4-(Acetyloxy)-3-methoxybenzenethanol Acetate

4-(Acetyloxy)-3-methoxybenzenethanol Acetate

C13H16O5 (252.0998)


   

SCHEMBL10607777

SCHEMBL10607777

C13H16O5 (252.0998)


   

(3R)-7-hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one|(R)-7-hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one

(3R)-7-hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one|(R)-7-hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one

C13H16O5 (252.0998)


   

(3S*,4S*)-7-ethyl-3,4-dihydro-3,4,8-trihydroxy-6-methoxynaphthalen-1(2H)-one|(3S,4S)-7-ethyl-3,4,8-trihydroxy-6-methoxy-3,4-dihydro-1(2H)-naphthalenone|botryosphaerone D

(3S*,4S*)-7-ethyl-3,4-dihydro-3,4,8-trihydroxy-6-methoxynaphthalen-1(2H)-one|(3S,4S)-7-ethyl-3,4,8-trihydroxy-6-methoxy-3,4-dihydro-1(2H)-naphthalenone|botryosphaerone D

C13H16O5 (252.0998)


   

2,4-dihydroxy-6-(4-hydroxy-2-oxopentyl)-3-methylbenzaldehyde

2,4-dihydroxy-6-(4-hydroxy-2-oxopentyl)-3-methylbenzaldehyde

C13H16O5 (252.0998)


   

speciosin M

speciosin M

C13H16O5 (252.0998)


   

acremostrictin

acremostrictin

C13H16O5 (252.0998)


   

methyl 2-(2-acetyl-3,5-dihydroxy-4,6-dimethylphenyl)acetate

methyl 2-(2-acetyl-3,5-dihydroxy-4,6-dimethylphenyl)acetate

C13H16O5 (252.0998)


   

jiadifenone

jiadifenone

C13H16O5 (252.0998)


   

6-(2,4-dihydroxy-5-methylphenyl)-6-oxohexanoic acid

6-(2,4-dihydroxy-5-methylphenyl)-6-oxohexanoic acid

C13H16O5 (252.0998)


   

3-Hydroxycyclobarbital

3-Hydroxycyclobarbital

C12H16N2O4 (252.111)


   

Sclerotinin A

Sclerotinin A

C13H16O5 (252.0998)


   

pyrenochaetic acid D

pyrenochaetic acid D

C13H16O5 (252.0998)


   

Microsphaerophthalide A

Microsphaerophthalide A

C13H16O5 (252.0998)


   

10-methoxycanthin-6-one|4,5-dihydro-10-methoxycanthin-6-one|4,5-Dihydromethylaervine

10-methoxycanthin-6-one|4,5-dihydro-10-methoxycanthin-6-one|4,5-Dihydromethylaervine

C15H12N2O2 (252.0899)


   
   

2,5-Dihydroxy-2-isopropyl-7-methoxychroman-4-one

2,5-Dihydroxy-2-isopropyl-7-methoxychroman-4-one

C13H16O5 (252.0998)


   

2,4-dihydroxy-3(2,3-epoxy-3-methylbutyl)-6-methoxybenzaldehyde

2,4-dihydroxy-3(2,3-epoxy-3-methylbutyl)-6-methoxybenzaldehyde

C13H16O5 (252.0998)


   

2-(4-hydroxybenzyl)quinazolin-4(3H)-one

2-(4-hydroxybenzyl)quinazolin-4(3H)-one

C15H12N2O2 (252.0899)


A quinazoline alkaloid that is quinazolin-4(3H)-one substituted by a 4-hydroxybenzyl group at position 2. It has been isolated from Penicillium paneum and Isaria farinosa.

   

2,5-Diamino-4-hydroxypentanoic acid-N5-Benzoyl|Ndelta-benzoyl-L-gamma-hydroxyornithine

2,5-Diamino-4-hydroxypentanoic acid-N5-Benzoyl|Ndelta-benzoyl-L-gamma-hydroxyornithine

C12H16N2O4 (252.111)


   

5-hydroxymethylcanthin-6-one

5-hydroxymethylcanthin-6-one

C15H12N2O2 (252.0899)


   

SCHEMBL3932356

SCHEMBL3932356

C13H16O5 (252.0998)


   

6-(2-chloroethyl)-2(S)-hydroxymethyl-5,7-dimethylindan-1-one

6-(2-chloroethyl)-2(S)-hydroxymethyl-5,7-dimethylindan-1-one

C14H17ClO2 (252.0917)


   

nothoapiole

nothoapiole

C13H16O5 (252.0998)


   

8-carboxyl-3-hydroxy-5-methoxy-2-dimethyl chroman|8-carboxyl-3-hydroxy-5-methoxy-2-dimethylchroman

8-carboxyl-3-hydroxy-5-methoxy-2-dimethyl chroman|8-carboxyl-3-hydroxy-5-methoxy-2-dimethylchroman

C13H16O5 (252.0998)


   

4-Hydroxy-2-(2,4,5-trimethoxyphenyl)-2E-butenal

4-Hydroxy-2-(2,4,5-trimethoxyphenyl)-2E-butenal

C13H16O5 (252.0998)


   

2,3-O-Benzylidene-beta-D-Pyranose-1,6-Anhydromannose

2,3-O-Benzylidene-beta-D-Pyranose-1,6-Anhydromannose

C13H16O5 (252.0998)


   

Arthropsolide D

Arthropsolide D

C13H16O5 (252.0998)


   

(+)-<2,4-dihydroxy-3(2-(R)-hydroxy-3-methyl-3-butenyl)>-6-methoxybenzaldehyde|(+)-[2,4-dihydroxy-3(2-(R)-hydroxy-3-methyl-3-butenyl)]-6-methoxybenzaldehyde

(+)-<2,4-dihydroxy-3(2-(R)-hydroxy-3-methyl-3-butenyl)>-6-methoxybenzaldehyde|(+)-[2,4-dihydroxy-3(2-(R)-hydroxy-3-methyl-3-butenyl)]-6-methoxybenzaldehyde

C13H16O5 (252.0998)


   

CHEMBL498337

CHEMBL498337

C13H16O5 (252.0998)


   

Trinexapac-ethyl

Trinexapac-ethyl

C13H16O5 (252.0998)


CONFIDENCE standard compound; INTERNAL_ID 53; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4596; ORIGINAL_PRECURSOR_SCAN_NO 4593 CONFIDENCE standard compound; INTERNAL_ID 53; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4433; ORIGINAL_PRECURSOR_SCAN_NO 4431 CONFIDENCE standard compound; INTERNAL_ID 53; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4395; ORIGINAL_PRECURSOR_SCAN_NO 4390 CONFIDENCE standard compound; INTERNAL_ID 53; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4078; ORIGINAL_PRECURSOR_SCAN_NO 4076 CONFIDENCE standard compound; INTERNAL_ID 53; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4447; ORIGINAL_PRECURSOR_SCAN_NO 4445 CONFIDENCE standard compound; INTERNAL_ID 53; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4226; ORIGINAL_PRECURSOR_SCAN_NO 4224 CONFIDENCE standard compound; EAWAG_UCHEM_ID 151

   

PERYLENE

PERYLENE

C20H12 (252.0939)


Concentration of perylene solution 1 mg/ L; Injection volume 10 microL;. Post column addition of NaAuCl4 acetonitrile solution (5 mg /L) at 0.05 mL/min.

   

Nebularine

Nebularine

C10H12N4O4 (252.0859)


A purine ribonucleoside that is 9H-purine attached to a beta-D-ribofuranosyl residue at position 9 via a glycosidic (N-glycosyl) linkage. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.257 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.250

   

OXCARBAZEPINE

2-Hydroxycarbamazepine

C15H12N2O2 (252.0899)


D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AF - Carboxamide derivatives D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 8583

   

phenytoin

Phenytoin (Lepitoin)

C15H12N2O2 (252.0899)


D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AB - Hydantoin derivatives D065693 - Cytochrome P-450 Enzyme Inducers > D065694 - Cytochrome P-450 CYP1A2 Inducers C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker

   

METHYLHALFORDINOL

NCGC00160219-01!METHYLHALFORDINOL

C15H12N2O2 (252.0899)


   

methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

NCGC00385894-01!methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

C13H16O5 (252.0998)


   

(2R)-7-hydroxy-8-(2-hydroxyethyl)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one

NCGC00180534-02!(2R)-7-hydroxy-8-(2-hydroxyethyl)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one

C13H16O5 (252.0998)


   

C13H16O5_8-Methyl-3,4,6,10b-tetrahydropyrano[3,2-c]isochromene-4a,7,9(2H)-triol

NCGC00380856-01_C13H16O5_8-Methyl-3,4,6,10b-tetrahydropyrano[3,2-c]isochromene-4a,7,9(2H)-triol

C13H16O5 (252.0998)


   

Deoxyinosine

2-Deoxyinosine

C10H12N4O4 (252.0859)


2’-deoxyadenosine inhibits the growth of human colon-carcinoma cell lines and is found to be associated with purine nucleoside phosphorylase (PNP) deficiency. 2’-deoxyadenosine inhibits the growth of human colon-carcinoma cell lines and is found to be associated with purine nucleoside phosphorylase (PNP) deficiency.

   
   

(2R)-7-hydroxy-8-(2-hydroxyethyl)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one

(2R)-7-hydroxy-8-(2-hydroxyethyl)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one

C13H16O5 (252.0998)


   

Methyl 3,4,5-trimethoxycinnamate

methyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

C13H16O5 (252.0998)


   

Carbamazepine-10,11-epoxide

Carbamazepine-10,11-epoxide

C15H12N2O2 (252.0899)


An epoxide and metabolite of carbamazepine. CONFIDENCE standard compound; INTERNAL_ID 2038

   

Carbamazepine 10,11-epoxide

Carbamazepine-10,11-epoxide

C15H12N2O2 (252.0899)


   
   
   
   
   

Epoxy-hexobarbital

1,5-dimethyl-5-{7-oxabicyclo[4.1.0]heptan-1-yl}-1,3-diazinane-2,4,6-trione

C12H16N2O4 (252.111)


   

Ala-tyr

2-[2-amino-3-(4-hydroxyphenyl)propanamido]propanoic acid

C12H16N2O4 (252.111)


A dipeptide composed of L-alanine and L-tyrosine joined by a peptide linkage.

   

Phe-ser

2-(2-amino-3-hydroxypropanamido)-3-phenylpropanoic acid

C12H16N2O4 (252.111)


A dipeptide that is the N-(L-phenylalanyl) derivative of L-serine.

   

Ser-phe

2-(2-amino-3-phenylpropanamido)-3-hydroxypropanoic acid

C12H16N2O4 (252.111)


A dipeptide that is the N-(L-seryl) derivative of L-phenylalanine.

   

Tyr-ala

2-(2-aminopropanamido)-3-(4-hydroxyphenyl)propanoic acid

C12H16N2O4 (252.111)


A dipeptide formed from L-tyrosine and L-alanine residues.

   

Eugenone

1-(2,4,6-trimethoxyphenyl)butane-1,3-dione

C13H16O5 (252.0998)


   

Pterosin J

6-(2-Chloroethyl)-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-1H-inden-1-one

C14H17ClO2 (252.0917)


   

Methylhalfordinol

3-[5-(4-Methoxyphenyl)-2-oxazolyl]pyridine, 9ci

C15H12N2O2 (252.0899)


   

Antibiotic LL-D253alpha

(2R)-7-Hydroxy-8-(2-hydroxyethyl)-5-methoxy-2-methyl-2,3-dihydro-4H-chromen-4-one

C13H16O5 (252.0998)


   

2-Butanone,2-(2,4-dinitrophenyl)hydrazone

2-Butanone,2-(2,4-dinitrophenyl)hydrazone

C10H12N4O4 (252.0859)


   

5-(Benzyloxy)-1H-indazole-3-carbaldehyde

5-(Benzyloxy)-1H-indazole-3-carbaldehyde

C15H12N2O2 (252.0899)


   

1-amino-4-(methylamino)anthraquinone

1-amino-4-(methylamino)anthraquinone

C15H12N2O2 (252.0899)


   

3-(PROPYLCARBAMOYL)-5-NITROPHENYLBORONIC ACID

3-(PROPYLCARBAMOYL)-5-NITROPHENYLBORONIC ACID

C10H13BN2O5 (252.0917)


   

(4-FLUOROBENZYL)(PYRIDIN-4-YLMETHYL)AMINE

(4-FLUOROBENZYL)(PYRIDIN-4-YLMETHYL)AMINE

C13H14ClFN2 (252.0829)


   

4-(4-Methylpiperazin-1-ylmethyl)benzoyl chloride

4-(4-Methylpiperazin-1-ylmethyl)benzoyl chloride

C13H17ClN2O (252.1029)


   

4-(2-AMINO-THIAZOL-4-YL)-1-OXA-SPIRO[4.5]DECAN-2-ONE

4-(2-AMINO-THIAZOL-4-YL)-1-OXA-SPIRO[4.5]DECAN-2-ONE

C12H16N2O2S (252.0932)


   

2-PYRIDIN-2-YLMETHYL-4H-ISOQUINOLINE-1,3-DIONE

2-PYRIDIN-2-YLMETHYL-4H-ISOQUINOLINE-1,3-DIONE

C15H12N2O2 (252.0899)


   

4-(Carboxy-hydroxy-methyl)-benzoic acid tert-butyl ester

4-(Carboxy-hydroxy-methyl)-benzoic acid tert-butyl ester

C13H16O5 (252.0998)


   

2-(2-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole

2-(2-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole

C15H12N2O2 (252.0899)


   

1,2-Diphenyl-pyrazolidine-3,5-dione

1,2-Diphenyl-pyrazolidine-3,5-dione

C15H12N2O2 (252.0899)


   

3-PHENYL-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER

3-PHENYL-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER

C15H12N2O2 (252.0899)


   
   

N-(4-CYANO-PHENYL)-2-(4-HYDROXY-PHENYL)-ACETAMIDE

N-(4-CYANO-PHENYL)-2-(4-HYDROXY-PHENYL)-ACETAMIDE

C15H12N2O2 (252.0899)


   

N-(3-CYANO-PHENYL)-2-(4-HYDROXY-PHENYL)-ACETAMIDE

N-(3-CYANO-PHENYL)-2-(4-HYDROXY-PHENYL)-ACETAMIDE

C15H12N2O2 (252.0899)


   

N-PYRROLIDIN-3-AMINO-3-(2-CHLOROPHENYL)PROPIONAMIDE

N-PYRROLIDIN-3-AMINO-3-(2-CHLOROPHENYL)PROPIONAMIDE

C13H17ClN2O (252.1029)


   

5-(4-ETHYLTHIOPHENYL)-5-OXOVALERIC ACID

5-(4-ETHYLTHIOPHENYL)-5-OXOVALERIC ACID

C13H16O3S (252.082)


   

Ethyl 4-(carboxymethyl)-2-ethoxybenzoate

Ethyl 4-(carboxymethyl)-2-ethoxybenzoate

C13H16O5 (252.0998)


   

3-(1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL)PROPANOIC ACID

3-(1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL)PROPANOIC ACID

C10H12N4O4 (252.0859)


   

4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline

4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline

C14H12N4O (252.1011)


   

1-BENZYL-4-CYANO-4-HYDROXYPIPERIDINE HYDROCHLORIDE 98

1-BENZYL-4-CYANO-4-HYDROXYPIPERIDINE HYDROCHLORIDE 98

C13H17ClN2O (252.1029)


   

1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carbonitrile

1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carbonitrile

C14H9FN4 (252.0811)


   

2-(3-Chlorobenzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3-Chlorobenzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H18BClO2 (252.1088)


   

4-METHYL-N-(1-METHYLPYRROLIDIN-2-YLIDENE)BENZENESULFONAMIDE

4-METHYL-N-(1-METHYLPYRROLIDIN-2-YLIDENE)BENZENESULFONAMIDE

C12H16N2O2S (252.0932)


   

4`-Formylbenzo-12-crown-4

4`-Formylbenzo-12-crown-4

C13H16O5 (252.0998)


   

12-DIMYRISTOYL-RAC-GLYCEROL(C14:0)

12-DIMYRISTOYL-RAC-GLYCEROL(C14:0)

C15H12N2O2 (252.0899)


   

N-(4-CHLOROBENZYL)PIPERIDINE-4-CARBOXAMIDE

N-(4-CHLOROBENZYL)PIPERIDINE-4-CARBOXAMIDE

C13H17ClN2O (252.1029)


   

2-(2-Phenylimidazo[1,2-a]pyridin-3-yl)acetic acid

2-(2-Phenylimidazo[1,2-a]pyridin-3-yl)acetic acid

C15H12N2O2 (252.0899)


   

Benzenesulfonic acid,4-methyl-, 2-cyclopentylidenehydrazide

Benzenesulfonic acid,4-methyl-, 2-cyclopentylidenehydrazide

C12H16N2O2S (252.0932)


   

(S)-BENZYL (3-HYDROXY-1-(METHYLAMINO)-1-OXOPROPAN-2-YL)CARBAMATE

(S)-BENZYL (3-HYDROXY-1-(METHYLAMINO)-1-OXOPROPAN-2-YL)CARBAMATE

C12H16N2O4 (252.111)


   

DIMETHYL(N,N,N,N-TETRAMETHYLETHYLENEDIAMINE)PALLADIUM(II)

DIMETHYL(N,N,N,N-TETRAMETHYLETHYLENEDIAMINE)PALLADIUM(II)

C8H22N2Pd (252.0818)


   

(S)-2-(((BENZYLOXY)CARBONYL)AMINO)-3-(METHYLAMINO)PROPANOIC ACID

(S)-2-(((BENZYLOXY)CARBONYL)AMINO)-3-(METHYLAMINO)PROPANOIC ACID

C12H16N2O4 (252.111)


   

N-(1-(AMINOMETHYL)CYCLOPENTYL)-4-CHLOROBENZAMIDE

N-(1-(AMINOMETHYL)CYCLOPENTYL)-4-CHLOROBENZAMIDE

C13H17ClN2O (252.1029)


   

tert-butyl N-(4-methyl-3-nitrophenyl)carbamate

tert-butyl N-(4-methyl-3-nitrophenyl)carbamate

C12H16N2O4 (252.111)


   

2-(4-(dimethylamino)phenyl)-1,3-thiazolidine-4-carboxylic acid

2-(4-(dimethylamino)phenyl)-1,3-thiazolidine-4-carboxylic acid

C12H16N2O2S (252.0932)


   

(3-(Isopropylcarbamoyl)-5-nitrophenyl)boronic acid

(3-(Isopropylcarbamoyl)-5-nitrophenyl)boronic acid

C10H13BN2O5 (252.0917)


   

2-benzyl-3H-benzimidazole-5-carboxylic acid

2-benzyl-3H-benzimidazole-5-carboxylic acid

C15H12N2O2 (252.0899)


   

3-ethyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one

3-ethyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one

C12H16N2O2S (252.0932)


   

TMS-α-D-(+)-GLUCOSE

TMS-α-D-(+)-GLUCOSE

C9H20O6Si (252.1029)


   

TERT-BUTYL 4-FORMYL-5-METHOXYPYRIDIN-3-YLCARBAMATE

TERT-BUTYL 4-FORMYL-5-METHOXYPYRIDIN-3-YLCARBAMATE

C12H16N2O4 (252.111)


   

1,3-diethynylbenzene,1,4-diethynylbenzene

1,3-diethynylbenzene,1,4-diethynylbenzene

C20H12 (252.0939)


   

6-((TERT-BUTOXYCARBONYL)(METHYL)AMINO)NICOTINIC ACID

6-((TERT-BUTOXYCARBONYL)(METHYL)AMINO)NICOTINIC ACID

C12H16N2O4 (252.111)


   

(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)BENZENE

(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)BENZENE

C12H16N2O2S (252.0932)


   

N1-Phenyl-4-(trifluoromethyl)benzene-1,2-diamine

N1-Phenyl-4-(trifluoromethyl)benzene-1,2-diamine

C13H11F3N2 (252.0874)


   

N-ALPHA-CBZ-GLYCINE N-METHOXY-N-METHYLAMIDE

N-ALPHA-CBZ-GLYCINE N-METHOXY-N-METHYLAMIDE

C12H16N2O4 (252.111)


   

3-(2-aminoethyl)-6-fluoro-5-methoxy-1H-indole-2-carboxylic acid

3-(2-aminoethyl)-6-fluoro-5-methoxy-1H-indole-2-carboxylic acid

C12H13FN2O3 (252.091)


   

7-phenylmethoxy-1H-quinazolin-4-one

7-phenylmethoxy-1H-quinazolin-4-one

C15H12N2O2 (252.0899)


   

N-(6-allyl-2-chloropyridin-3-yl)pivalamide

N-(6-allyl-2-chloropyridin-3-yl)pivalamide

C13H17ClN2O (252.1029)


   

BIS(TRIMETHYLSILOXY)METHYLMETHOXYSILANE

BIS(TRIMETHYLSILOXY)METHYLMETHOXYSILANE

C8H24O3Si3 (252.1033)


   

4-(4-CHLOROPHENYL)CYCLOHEXANECARBOHYDRAZIDE

4-(4-CHLOROPHENYL)CYCLOHEXANECARBOHYDRAZIDE

C13H17ClN2O (252.1029)


   

1,4-diphenylpyrazolidine-3,5-dione

1,4-diphenylpyrazolidine-3,5-dione

C15H12N2O2 (252.0899)


   

4-(benzimidazol-1-ylmethyl)benzoic acid

4-(benzimidazol-1-ylmethyl)benzoic acid

C15H12N2O2 (252.0899)


   

methyl 3-(1H-benzimidazol-2-yl)benzoate

methyl 3-(1H-benzimidazol-2-yl)benzoate

C15H12N2O2 (252.0899)


   

Ethyl 3-(3,4-dimethoxyphenyl)-3-oxopropanoate

Ethyl 3-(3,4-dimethoxyphenyl)-3-oxopropanoate

C13H16O5 (252.0998)


   

Benzofuran-2-carboxylic acid (4-amino-phenyl)-amide

Benzofuran-2-carboxylic acid (4-amino-phenyl)-amide

C15H12N2O2 (252.0899)


   

N-(3-Amino-4-chlorophenyl)cyclohexanecarboxamide

N-(3-Amino-4-chlorophenyl)cyclohexanecarboxamide

C13H17ClN2O (252.1029)


   

N-Benzoyl-L-methionine amide

N-Benzoyl-L-methionine amide

C12H16N2O2S (252.0932)


   

4-(Diacetoxymethyl)phenylboronic acid

4-(Diacetoxymethyl)phenylboronic acid

C11H13BO6 (252.0805)


   

1H-SPIRO[PIPERIDINE-4,3-QUINOLIN]-2(4H)-ONE HYDROCHLORIDE

1H-SPIRO[PIPERIDINE-4,3-QUINOLIN]-2(4H)-ONE HYDROCHLORIDE

C13H17ClN2O (252.1029)


   

N-[[[1-Methyl-1-(hydroxymethyl)ethyl]amino]thiocarbonyl]benzamide

N-[[[1-Methyl-1-(hydroxymethyl)ethyl]amino]thiocarbonyl]benzamide

C12H16N2O2S (252.0932)


   

Tert-butyl 4-fluoro-6-hydroxy-1H-indazole-1-carboxylate

Tert-butyl 4-fluoro-6-hydroxy-1H-indazole-1-carboxylate

C12H13FN2O3 (252.091)


   

2-Acetylthiophene-3-boronic acid pinacol ester

2-Acetylthiophene-3-boronic acid pinacol ester

C12H17BO3S (252.0991)


   

benzyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate

benzyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate

C15H12N2O2 (252.0899)


   

8-BENZYLOXY-IMIDAZO[1,2-A]PYRIDINE-2-CARBALDEHYDE

8-BENZYLOXY-IMIDAZO[1,2-A]PYRIDINE-2-CARBALDEHYDE

C15H12N2O2 (252.0899)


   

3-(3,5-Dimethoxy-phenyl)-3-oxo-propionic acid ethyl ester

3-(3,5-Dimethoxy-phenyl)-3-oxo-propionic acid ethyl ester

C13H16O5 (252.0998)


   

1H-Isoindole-1,3(2H)-dione,2-[2-(2-pyridinyl)ethyl]-

1H-Isoindole-1,3(2H)-dione,2-[2-(2-pyridinyl)ethyl]-

C15H12N2O2 (252.0899)


   

5-(3-Benzyloxyphenyl)-1H-tetrazole

5-(3-Benzyloxyphenyl)-1H-tetrazole

C14H12N4O (252.1011)


   

3-Chloro-4-Methylphenylboronic acid pinacol ester

3-Chloro-4-Methylphenylboronic acid pinacol ester

C13H18BClO2 (252.1088)


   

2-(4-(CHLOROMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

2-(4-(CHLOROMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

C13H18BClO2 (252.1088)


   

methyl 2-(2-acetyl-3,5-dimethoxyphenyl)acetate

methyl 2-(2-acetyl-3,5-dimethoxyphenyl)acetate

C13H16O5 (252.0998)


   

1-BENZYL-4-HYDROXY-1,8-NAPHTHYRIDIN-2(1H)-ONE

1-BENZYL-4-HYDROXY-1,8-NAPHTHYRIDIN-2(1H)-ONE

C15H12N2O2 (252.0899)


   

DIMETHYL 2-(4-METHOXYPHENYL)SUCCINATE

DIMETHYL 2-(4-METHOXYPHENYL)SUCCINATE

C13H16O5 (252.0998)


   

4-(Benzyloxy)-1H-indazole-3-carbaldehyde

4-(Benzyloxy)-1H-indazole-3-carbaldehyde

C15H12N2O2 (252.0899)


   

(2-(1H-tetrazol-5-yl)-[1,1-biphenyl]-4-yl)methanol

(2-(1H-tetrazol-5-yl)-[1,1-biphenyl]-4-yl)methanol

C14H12N4O (252.1011)


   

2-(3-methoxyphenyl)-4-pyridin-2-yl-1,3-oxazole

2-(3-methoxyphenyl)-4-pyridin-2-yl-1,3-oxazole

C15H12N2O2 (252.0899)


   

dimethyl 2-[(4-methoxyphenyl)methyl]propanedioate

dimethyl 2-[(4-methoxyphenyl)methyl]propanedioate

C13H16O5 (252.0998)


   

5-(3-CYANOPHENYL)-PYRIDINE-3-CARBOXYLATE, ETHYL ESTER

5-(3-CYANOPHENYL)-PYRIDINE-3-CARBOXYLATE, ETHYL ESTER

C15H12N2O2 (252.0899)


   

5-NAPHTHALEN-2-YL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER

5-NAPHTHALEN-2-YL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER

C15H12N2O2 (252.0899)


   

4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzaldehyde

4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzaldehyde

C15H12N2O2 (252.0899)


   

2-methyl-3-(4-nitrophenyl)-1H-indole

2-methyl-3-(4-nitrophenyl)-1H-indole

C15H12N2O2 (252.0899)


   

(S)-N-[[3-(3-Fluorophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide

(S)-N-[[3-(3-Fluorophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide

C12H13FN2O3 (252.091)


   

8-(4-Chlorophenyl)-1,4-dioxaspiro[4.5]decane

8-(4-CHLOROPHENYL)-1,4-DIOXASPRIRO[4,5]DECANE

C14H17ClO2 (252.0917)


   

METHYL 6-((TERT-BUTOXYCARBONYL)AMINO)NICOTINATE

METHYL 6-((TERT-BUTOXYCARBONYL)AMINO)NICOTINATE

C12H16N2O4 (252.111)


   

4-(2-METHYL-1H-BENZO[D]IMIDAZOL-1-YL)BENZOIC ACID

4-(2-METHYL-1H-BENZO[D]IMIDAZOL-1-YL)BENZOIC ACID

C15H12N2O2 (252.0899)


   

1-(6-Methyl-2-pyridinyl)-2-[1,2,4]triazolo[1,5-a]pyridine-6-yl-ethanone

1-(6-Methyl-2-pyridinyl)-2-[1,2,4]triazolo[1,5-a]pyridine-6-yl-ethanone

C14H12N4O (252.1011)


   

1-(3-(TRIFLUOROMETHYL)BENZYL)PIPERAZINE&

1-(3-(TRIFLUOROMETHYL)BENZYL)PIPERAZINE&

C13H16O5 (252.0998)


   

(2-Phenyl-1H-benzimidazol-1-yl)acetic acid

(2-Phenyl-1H-benzimidazol-1-yl)acetic acid

C15H12N2O2 (252.0899)


   

2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid

2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid

C15H12N2O2 (252.0899)


   

Methyl 2-phenylimidazo[1,2-a]pyridine-6-carboxylate

Methyl 2-phenylimidazo[1,2-a]pyridine-6-carboxylate

C15H12N2O2 (252.0899)


   
   

3-(piperidin-4-yl)indolin-2-one hydrochloride

3-(piperidin-4-yl)indolin-2-one hydrochloride

C13H17ClN2O (252.1029)


   

3-(4-HYDROXYPHENYL)-1-PHENYL-1H-PYRAZOL-5(4H)-ONE

3-(4-HYDROXYPHENYL)-1-PHENYL-1H-PYRAZOL-5(4H)-ONE

C15H12N2O2 (252.0899)


   

9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione

9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione

C10H12N4O4 (252.0859)


   

2-CHLORO-N-(4-PIPERIDIN-1-YL-PHENYL)-ACETAMIDE

2-CHLORO-N-(4-PIPERIDIN-1-YL-PHENYL)-ACETAMIDE

C13H17ClN2O (252.1029)


   

3-(2,4-Dimethoxy-phenyl)-3-oxo-propionic acid ethyl ester

3-(2,4-Dimethoxy-phenyl)-3-oxo-propionic acid ethyl ester

C13H16O5 (252.0998)


   

diethyl 5-(hydroxymethyl)benzene-1,3-dicarboxylate

diethyl 5-(hydroxymethyl)benzene-1,3-dicarboxylate

C13H16O5 (252.0998)


   

methyl 2-phenyl-1H-pyrrolo[3,2-e]pyridine-5-carboxylate

methyl 2-phenyl-1H-pyrrolo[3,2-e]pyridine-5-carboxylate

C15H12N2O2 (252.0899)


   

N-(3-Cyanophenyl)-4-methoxybenzamide

N-(3-Cyanophenyl)-4-methoxybenzamide

C15H12N2O2 (252.0899)


   

5-Acetylthiophene-2-boronic acid pinacol ester

5-Acetylthiophene-2-boronic acid pinacol ester

C12H17BO3S (252.0991)


   

ethyl 3-(2,5-dimethoxyphenyl)-3-oxopropanoate

ethyl 3-(2,5-dimethoxyphenyl)-3-oxopropanoate

C13H16O5 (252.0998)


   

8-deuteriobenzo[a]pyrene

8-deuteriobenzo[a]pyrene

C20H12 (252.0939)


   

2-Chloro-4-methylphenylboronic acid pinacol ester

2-Chloro-4-methylphenylboronic acid pinacol ester

C13H18BClO2 (252.1088)


   

1-Butyl-3-methylimidzolium trifluoroacetate

1-Butyl-3-methylimidzolium trifluoroacetate

C10H15F3N2O2 (252.1086)


   

2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

C15H12N2O2 (252.0899)


   

3-(2,3-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER

3-(2,3-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER

C13H16O5 (252.0998)


   

1-(4-METHOXY-PHENYL)-1H-INDAZOLE-3-CARBALDEHYDE

1-(4-METHOXY-PHENYL)-1H-INDAZOLE-3-CARBALDEHYDE

C15H12N2O2 (252.0899)


   

9-AMINO-1,2,3,4-TETRAHYDROACRIDINE HCL HYDRATE

9-AMINO-1,2,3,4-TETRAHYDROACRIDINE HCL HYDRATE

C13H17ClN2O (252.1029)


   

5-Benzyloxy-6-azaindole-3-carboxaldehyde

5-Benzyloxy-6-azaindole-3-carboxaldehyde

C15H12N2O2 (252.0899)


   

1-(PIPERIDIN-4-YL)INDOLIN-2-ONE HYDROCHLORIDE

1-(PIPERIDIN-4-YL)INDOLIN-2-ONE HYDROCHLORIDE

C13H17ClN2O (252.1029)


   

5-[3-(Benzyloxy)phenyl]-1H-tetrazole

5-[3-(Benzyloxy)phenyl]-1H-tetrazole

C14H12N4O (252.1011)


   

2-(benzylamino)-3-trifluoromethylpyridine

2-(benzylamino)-3-trifluoromethylpyridine

C13H11F3N2 (252.0874)


   

1-methyl-5-nitro-2-phenylindole

1-methyl-5-nitro-2-phenylindole

C15H12N2O2 (252.0899)


   

4-chloro-2-methylphenylboronic acid pinacol ester

4-chloro-2-methylphenylboronic acid pinacol ester

C13H18BClO2 (252.1088)


   

2-(methylthio)pyrimidine-5-boronic acid pinacol ester

2-(methylthio)pyrimidine-5-boronic acid pinacol ester

C11H17BN2O2S (252.1104)


   

1,1,2-tris(ethoxysilyl)ethane

1,1,2-tris(ethoxysilyl)ethane

C8H24O3Si3 (252.1033)


   

methyl 2-(2-acetyl-4,5-dimethoxyphenyl)acetate

methyl 2-(2-acetyl-4,5-dimethoxyphenyl)acetate

C13H16O5 (252.0998)


   

Butanal, (2,4-dinitrophenyl)hydrazone

Butanal, (2,4-dinitrophenyl)hydrazone

C10H12N4O4 (252.0859)


   

6-BENZYLOXY-1H-INDAZOLE-3-CARBALDEHYDE

6-BENZYLOXY-1H-INDAZOLE-3-CARBALDEHYDE

C15H12N2O2 (252.0899)


   

2-(4-Methoxyphenyl)-8-nitrosoindolizine

2-(4-Methoxyphenyl)-8-nitrosoindolizine

C15H12N2O2 (252.0899)


   

3-HYDROXY-5-PHENYL-1,3-DIHYDRO-BENZO[E][1,4]DIAZEPIN-2-ONE

3-HYDROXY-5-PHENYL-1,3-DIHYDRO-BENZO[E][1,4]DIAZEPIN-2-ONE

C15H12N2O2 (252.0899)


   

1-BENZYL-5-BROMO-1H-INDOLE

1-BENZYL-5-BROMO-1H-INDOLE

C15H12N2O2 (252.0899)


   

Efaroxan hydrochloride

Efaroxan hydrochloride

C13H17ClN2O (252.1029)


Efaroxan hydrochloride is a potent, selective and orally active α2-adrenoceptor antagonist, with antidiabetic activity. Efaroxan hydrochloride is a selective I1-Imidazoline receptor antagonist. Efaroxan hydrochloride can be used for the research of cardiovascular disease[1][2][3].

   

CIRAZOLINE HYDROCHLORIDE

CIRAZOLINE HYDROCHLORIDE

C13H17ClN2O (252.1029)


Cirazoline hydrochloride (LD 3098 hydrochloride) is a potent competitive full?α1A-adrenergic receptor (α1A-AR) agonist (Ki=120 nM) and only a partial agonist at α1B-AR (Ki= 960 nM) and α1D-AR (Ki=660 nM)[1].

   

[4-(cyanomethyl)phenyl] N-phenylcarbamate

[4-(cyanomethyl)phenyl] N-phenylcarbamate

C15H12N2O2 (252.0899)


   

5-Chloro-2-Methylphenylboronic acid, pinacol ester

5-Chloro-2-Methylphenylboronic acid, pinacol ester

C13H18BClO2 (252.1088)


   

TRIMETHYLSILYL-D(-)FRUCTOSE

TRIMETHYLSILYL-D(-)FRUCTOSE

C9H20O6Si (252.1029)


   

ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate

ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate

C13H16O5 (252.0998)


   

2-(4-CHLOROBENZYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

2-(4-CHLOROBENZYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

C13H18BClO2 (252.1088)


   

3-(2-(TERT-BUTOXY)-2-OXOETHOXY)BENZOIC ACID

3-(2-(TERT-BUTOXY)-2-OXOETHOXY)BENZOIC ACID

C13H16O5 (252.0998)


   

2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone

2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone

C13H17ClN2O (252.1029)


   

ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate

ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate

C14H17ClO2 (252.0917)


   

5-(3,4-DIMETHOXYPHENYL)-5-OXOVALERIC ACID

5-(3,4-DIMETHOXYPHENYL)-5-OXOVALERIC ACID

C13H16O5 (252.0998)


   

5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1H-indole

5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1H-indole

C12H16N2O2S (252.0932)


   

1-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-3-yl)ethanone

1-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-3-yl)ethanone

C12H17BO3S (252.0991)


   

diethyl 4-hydroxy-5-methyl-benzene-1,3-dicarboxylate

diethyl 4-hydroxy-5-methyl-benzene-1,3-dicarboxylate

C13H16O5 (252.0998)


   

Propanal, 2-methyl-,2-(2,4-dinitrophenyl)hydrazone

Propanal, 2-methyl-,2-(2,4-dinitrophenyl)hydrazone

C10H12N4O4 (252.0859)


   

1-Benzyl-1H-indazole-3-carboxylic acid

1-Benzyl-1H-indazole-3-carboxylic acid

C15H12N2O2 (252.0899)


   

ethyl o-carboethoxymethylsalicylate

ethyl o-carboethoxymethylsalicylate

C13H16O5 (252.0998)


   

4-(4-methoxyphenyl)-1-(2h)-phthalazinon&

4-(4-methoxyphenyl)-1-(2h)-phthalazinon&

C15H12N2O2 (252.0899)


   

N-(benzotriazol-1-ylmethyl)benzamide

N-(benzotriazol-1-ylmethyl)benzamide

C14H12N4O (252.1011)


   

2,3,5,6-tetrafluorothiophenol

2,3,5,6-tetrafluorothiophenol

C15H12N2O2 (252.0899)


   

RS 8359

4-(7-Hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)benzonitrile

C14H12N4O (252.1011)


D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors

   

Amdoxovir

Amdoxovir

C9H12N6O3 (252.0971)


C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent

   

Cndac

Cndac

C10H12N4O4 (252.0859)


A pyrimidine 2-deoxyribonucleoside that is 2-deoxycytidine having a cyano group in the 2-position. It is the active metabolite of the anti-cancer drug, sapacitabine which is currently in clinical development for the treatment of hematologic malignancies and solid tumors. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite

   

2-{5-[Amino(iminio)methyl]-1H-benzimidazol-2-YL}benzenolate

2-{5-[Amino(iminio)methyl]-1H-benzimidazol-2-YL}benzenolate

C14H12N4O (252.1011)


   
   

1-Butyl-3-(pyridine-4-carbonylamino)thiourea

1-Butyl-3-(pyridine-4-carbonylamino)thiourea

C11H16N4OS (252.1045)


   

1,3-Dioxolane-2-methanol, 4-(2,6-diamino-9H-purin-9-yl)-

1,3-Dioxolane-2-methanol, 4-(2,6-diamino-9H-purin-9-yl)-

C9H12N6O3 (252.0971)


   

S-Methyl-KE-298

S-Methyl-KE-298

C13H16O3S (252.082)


   

2-(4-methoxyphenyl)-1H-quinazolin-4-one

2-(4-methoxyphenyl)-1H-quinazolin-4-one

C15H12N2O2 (252.0899)


   

4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine

4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine

C14H12N4O (252.1011)


   

Purpurester A

Purpurester A

C13H16O5 (252.0998)


A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one substituted by hydroxy groups at positions 5 and 6, a methoxy group at position 3, a methyl group at position 7 and a propyl group at position 3. It has been isolated from Penicillium purpurogenum.

   

5-Amino-2-(4-methylphenyl)isoindole-1,3-dione

5-Amino-2-(4-methylphenyl)isoindole-1,3-dione

C15H12N2O2 (252.0899)


   

2-[[Cyclohexyl(oxo)methyl]amino]-3-thiophenecarboxamide

2-[[Cyclohexyl(oxo)methyl]amino]-3-thiophenecarboxamide

C12H16N2O2S (252.0932)


   

[(E)-1-(1,3-thiazol-2-yl)ethylideneamino] cyclohexanecarboxylate

[(E)-1-(1,3-thiazol-2-yl)ethylideneamino] cyclohexanecarboxylate

C12H16N2O2S (252.0932)


   

{4-[5-(Trifluoromethyl)pyridin-2-yl]phenyl}methylamine

{4-[5-(Trifluoromethyl)pyridin-2-yl]phenyl}methylamine

C13H11F3N2 (252.0874)


   

Trimethylsilyl acetylsalicylate

Trimethylsilyl acetylsalicylate

C12H16O4Si (252.0818)


   

Theophylline TMS derivative

Theophylline TMS derivative

C10H16N4O2Si (252.1042)


   

Theobromine TMS derivative

Theobromine TMS derivative

C10H16N4O2Si (252.1042)


   

4-(Acetylamino)-3-[(aminoacetyl)amino]benzoic acid

4-(Acetylamino)-3-[(aminoacetyl)amino]benzoic acid

C11H14N3O4+ (252.0984)


   

Benzo[b]fluoranthene

Benzo[b]fluoranthene

C20H12 (252.0939)


   

cycasin

cycasin

C8H16N2O7 (252.0957)


Alkaloid from seeds of the false sago Cycas circinalis and sago cycas Cycas revoluta (Cycadaceae). Carcinogen of significance in human nutrition; but in practice the toxin is present in the seeds of the plant and the pith is used as a food source

   

(2S,3S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-3-azaniumyl-3,6-dihydro-2H-pyran-2-carboxylate

(2S,3S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-3-azaniumyl-3,6-dihydro-2H-pyran-2-carboxylate

C10H12N4O4 (252.0859)


   

4aalpha,8aalpha-Dimethyl-4a,4balpha,8a,8balpha-tetrahydrocyclobuta[1,2-d:3,4-d]dipyrimidine-2,4,6,8(1H,3H,5H,7H)-tetraone

4aalpha,8aalpha-Dimethyl-4a,4balpha,8a,8balpha-tetrahydrocyclobuta[1,2-d:3,4-d]dipyrimidine-2,4,6,8(1H,3H,5H,7H)-tetraone

C10H12N4O4 (252.0859)


   

9-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

9-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

C10H12N4O4 (252.0859)


   

[2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] propanoate

[2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] propanoate

C9H16O8 (252.0845)


   

[(2R,3S,4R,5R)-3,4,5,6-Tetrahydroxy-1-oxohexan-2-yl] 2-hydroxypropanoate

[(2R,3S,4R,5R)-3,4,5,6-Tetrahydroxy-1-oxohexan-2-yl] 2-hydroxypropanoate

C9H16O8 (252.0845)


   

(Methyl-ONN-azoxy)methyl beta-D-glucopyranoside

(Methyl-ONN-azoxy)methyl beta-D-glucopyranoside

C8H16N2O7 (252.0957)


D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009498 - Neurotoxins

   

Sinapyl acetate

Sinapyl acetate

C13H16O5 (252.0998)


   

(R)-7-Hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one

(R)-7-Hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one

C13H16O5 (252.0998)


A natural product found in Leptosphaeria species.

   

4-(2-chloro-6-fluorobenzyl)-1,3,5-trimethyl-1H-pyrazole

4-(2-chloro-6-fluorobenzyl)-1,3,5-trimethyl-1H-pyrazole

C13H14ClFN2 (252.0829)


   

2-[[2-(3,4-Dimethylanilino)-2-oxoethyl]thio]acetamide

2-[[2-(3,4-Dimethylanilino)-2-oxoethyl]thio]acetamide

C12H16N2O2S (252.0932)


   

N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide

N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide

C13H17FN2S (252.1096)


   

6,7-dimethoxy-3-propoxy-3H-isobenzofuran-1-one

6,7-dimethoxy-3-propoxy-3H-isobenzofuran-1-one

C13H16O5 (252.0998)


   

Acremostrictin, rel-

Acremostrictin, rel-

C13H16O5 (252.0998)


A natural product found in Acremonium strictum.

   

(E)-Methyl 3-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)acrylate

(E)-Methyl 3-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)acrylate

C14H13BN2O2 (252.107)


   

2-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)phenyl]-2-hydroxyacetic acid

2-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)phenyl]-2-hydroxyacetic acid

C13H16O5 (252.0998)


   

2-[2,4,6-Trihydroxy-3-(3-methylbut-2-enyl)phenyl]acetic acid

2-[2,4,6-Trihydroxy-3-(3-methylbut-2-enyl)phenyl]acetic acid

C13H16O5 (252.0998)


   

5-Hydroxybenzo[b][1]benzazepine-11-carboxamide

5-Hydroxybenzo[b][1]benzazepine-11-carboxamide

C15H12N2O2 (252.0899)


   

Methyl trimethylsilyl phthalate

Methyl trimethylsilyl phthalate

C12H16O4Si (252.0818)


   

2-[4-(4-Cyanophenyl)phenoxy]acetamide

2-[4-(4-Cyanophenyl)phenoxy]acetamide

C15H12N2O2 (252.0899)


   

Benzoic acid, 4-acetyloxy-, trimethylsilyl ester

Benzoic acid, 4-acetyloxy-, trimethylsilyl ester

C12H16O4Si (252.0818)


   

Methyl trimethylsilyl isophthalate

Methyl trimethylsilyl isophthalate

C12H16O4Si (252.0818)


   

1,4-Benzenedicarboxylic acid, methyl trimethylsilyl ester

1,4-Benzenedicarboxylic acid, methyl trimethylsilyl ester

C12H16O4Si (252.0818)


   

4-Methoxybenzoylformic acid, TMS

4-Methoxybenzoylformic acid, TMS

C12H16O4Si (252.0818)


   

3,4-Methylenedioxyphenylacetic acid, trimethylsilyl ester

3,4-Methylenedioxyphenylacetic acid, trimethylsilyl ester

C12H16O4Si (252.0818)


   

(Z)-1-(3-Nitrophenyl)-ethanone trimethylsilyloxime

(Z)-1-(3-Nitrophenyl)-ethanone trimethylsilyloxime

C11H16N2O3Si (252.093)


   

(E)-1-(3-Nitrophenyl)-ethanone trimethylsilyloxime

(E)-1-(3-Nitrophenyl)-ethanone trimethylsilyloxime

C11H16N2O3Si (252.093)


   

Dimethyl trans-2,3,4,5,6,7-hexahydroinden-1(H)-one-5,6-dicarboxylate

Dimethyl trans-2,3,4,5,6,7-hexahydroinden-1(H)-one-5,6-dicarboxylate

C13H16O5 (252.0998)


   

Dimethyl cis-4-acryloyl-4-cyclohexene-1,2-dicarboxylate

Dimethyl cis-4-acryloyl-4-cyclohexene-1,2-dicarboxylate

C13H16O5 (252.0998)


   

Dimethyl cis-2,3,4,5,6,7-hexahydroinden-1(H)-one-5,6-dicarboxylate

Dimethyl cis-2,3,4,5,6,7-hexahydroinden-1(H)-one-5,6-dicarboxylate

C13H16O5 (252.0998)


   

Dimethyl trans-4-acryloyl-4-cyclohexene-1,2-dicarboxylate

Dimethyl trans-4-acryloyl-4-cyclohexene-1,2-dicarboxylate

C13H16O5 (252.0998)


   

2-Deoxyinosine

2-Deoxyinosine

C10H12N4O4 (252.0859)


A purine 2-deoxyribonucleoside that is inosine in which the hydroxy group at position 2 is replaced by a hydrogen. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2’-deoxyadenosine inhibits the growth of human colon-carcinoma cell lines and is found to be associated with purine nucleoside phosphorylase (PNP) deficiency. 2’-deoxyadenosine inhibits the growth of human colon-carcinoma cell lines and is found to be associated with purine nucleoside phosphorylase (PNP) deficiency.

   

2,4,6-Trihydroxy-3-methyl-5-(3-methylbutanoyl)benzaldehyde

2,4,6-Trihydroxy-3-methyl-5-(3-methylbutanoyl)benzaldehyde

C13H16O5 (252.0998)


   

1,2-Benzpyrene

1,2-Benzpyrene

C20H12 (252.0939)


   

Benzo[k]fluoranthene

11,12-Benzofluoranthene

C20H12 (252.0939)


   

2-Hydroxycarbamazepine

2-Hydroxycarbamazepine

C15H12N2O2 (252.0899)


   

Pyridine, 3-(5-(p-methoxyphenyl)-2-oxazolyl)-

Pyridine, 3-(5-(p-methoxyphenyl)-2-oxazolyl)-

C15H12N2O2 (252.0899)


   

3-Hydroxycarbamazepine

3-Hydroxy Carbamazepine

C15H12N2O2 (252.0899)


   

4a,4b-dimethylhexahydro-1,3,6,8-tetraazabiphenylene-2,4,5,7-tetrone

4a,4b-dimethylhexahydro-1,3,6,8-tetraazabiphenylene-2,4,5,7-tetrone

C10H12N4O4 (252.0859)


A member of the class of cyclobutadipyrimidines that is hexahydro-1,3,6,8-tetraazabiphenylene-2,4,5,7-tetrone carrying two additional methyl substituents at positions 4a and 4b.

   

Hypoxanthine, 9-(2-deoxy-beta-D-erythro-pentofuranosyl)-

Hypoxanthine, 9-(2-deoxy-beta-D-erythro-pentofuranosyl)-

C10H12N4O4 (252.0859)


   

FK17-P2a

FK17-P2a

C13H16O5 (252.0998)


A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde which is substituted by a methyl group at position e and by a at positions 3 and 4-hydroxy-2-oxopentyl group at position 6. A fungal metabolite isolated from Pseudobotrytis and Aspergillus niger (stereochemistry not been determined).

   

Methyl 3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Methyl 3-(3,4,5-trimethoxyphenyl)prop-2-enoate

C13H16O5 (252.0998)


   

(2-Chlorophenyl)diphenylmethane

(2-Chlorophenyl)diphenylmethane

C14H17ClO2 (252.0917)


   

Chlorophenyl)diphenylmethane

Chlorophenyl)diphenylmethane

C14H17ClO2 (252.0917)


   
   

3'-Deoxyinosine

3'-Deoxyinosine

C10H12N4O4 (252.0859)


3'-Deoxyinosine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].

   

3-ethoxy-4-(hydroxymethyl)-7-methoxy-6-methyl-3h-2-benzofuran-1-one

3-ethoxy-4-(hydroxymethyl)-7-methoxy-6-methyl-3h-2-benzofuran-1-one

C13H16O5 (252.0998)


   

(1z)-1-methyl-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)diazen-1-ium-1-olate

(1z)-1-methyl-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)diazen-1-ium-1-olate

C8H16N2O7 (252.0957)


   

1,2-dihydroxy-4,8,11-trimethyl-9-oxatricyclo[6.2.1.0²,⁶]undec-4-ene-3,10-dione

1,2-dihydroxy-4,8,11-trimethyl-9-oxatricyclo[6.2.1.0²,⁶]undec-4-ene-3,10-dione

C13H16O5 (252.0998)


   

(3r,4r,5s)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-one

(3r,4r,5s)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-one

C13H16O5 (252.0998)


   

methyl 3-(2,4,5-trimethoxyphenyl)prop-2-enoate

methyl 3-(2,4,5-trimethoxyphenyl)prop-2-enoate

C13H16O5 (252.0998)


   

3-hydroxy-4-methoxy-2-methyl-7-(prop-1-en-1-yl)-2h,3h,4h-pyrano[4,3-b]pyran-5-one

3-hydroxy-4-methoxy-2-methyl-7-(prop-1-en-1-yl)-2h,3h,4h-pyrano[4,3-b]pyran-5-one

C13H16O5 (252.0998)


   

(3s,4r)-4,8-dihydroxy-6-methoxy-3,4,5-trimethyl-3h-2-benzopyran-1-one

(3s,4r)-4,8-dihydroxy-6-methoxy-3,4,5-trimethyl-3h-2-benzopyran-1-one

C13H16O5 (252.0998)


   

(3s)-3-ethyl-5,6,7-trimethoxy-3h-2-benzofuran-1-one

(3s)-3-ethyl-5,6,7-trimethoxy-3h-2-benzofuran-1-one

C13H16O5 (252.0998)


   

1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]but-2-en-1-one

1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]but-2-en-1-one

C13H16O5 (252.0998)


   

(4s,6s)-6-[(1s,2s)-1,2-dihydroxy-2-phenylethyl]-4-hydroxyoxan-2-one

(4s,6s)-6-[(1s,2s)-1,2-dihydroxy-2-phenylethyl]-4-hydroxyoxan-2-one

C13H16O5 (252.0998)


   

(3r)-8-hydroxy-3-(3-hydroxypropyl)-7-methoxy-3,4-dihydro-2-benzopyran-1-one

(3r)-8-hydroxy-3-(3-hydroxypropyl)-7-methoxy-3,4-dihydro-2-benzopyran-1-one

C13H16O5 (252.0998)


   

1-{4-acetyl-9h-pyrido[3,4-b]indol-8-yl}ethanone

1-{4-acetyl-9h-pyrido[3,4-b]indol-8-yl}ethanone

C15H12N2O2 (252.0899)


   

6,8-dihydroxy-3-methoxy-3,5,7-trimethyl-4h-2-benzopyran-1-one

6,8-dihydroxy-3-methoxy-3,5,7-trimethyl-4h-2-benzopyran-1-one

C13H16O5 (252.0998)


   

3,8-dihydroxy-6-methoxy-3,4,5-trimethyl-4h-2-benzopyran-1-one

3,8-dihydroxy-6-methoxy-3,4,5-trimethyl-4h-2-benzopyran-1-one

C13H16O5 (252.0998)


   

1-o-coumaroylglycerol; (s,e)-form,4'-me ether

NA

C13H16O5 (252.0998)


{"Ingredient_id": "HBIN002873","Ingredient_name": "1-o-coumaroylglycerol; (s,e)-form,4'-me ether","Alias": "NA","Ingredient_formula": "C13H16O5","Ingredient_Smile": "NA","Ingredient_weight": "252.26","OB_score": "NA","CAS_id": "220852-57-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9135","PubChem_id": "NA","DrugBank_id": "NA"}

   

2-o-coumaroylglycerol; (e)-form,4'-me ether

NA

C13H16O5 (252.0998)


{"Ingredient_id": "HBIN006216","Ingredient_name": "2-o-coumaroylglycerol; (e)-form,4'-me ether","Alias": "NA","Ingredient_formula": "C13H16O5","Ingredient_Smile": "NA","Ingredient_weight": "252.26","OB_score": "NA","CAS_id": "220852-58-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8540","PubChem_id": "NA","DrugBank_id": "NA"}

   

4-hydroxy-2-(2,4,5-trimethoxyphenyl)-2e-butenal

NA

C13H16O5 (252.0998)


{"Ingredient_id": "HBIN010432","Ingredient_name": "4-hydroxy-2-(2,4,5-trimethoxyphenyl)-2e-butenal","Alias": "NA","Ingredient_formula": "C13H16O5","Ingredient_Smile": "CC(=O)CC(=O)C1=C(C=C(C=C1OC)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10800","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2e)-3-(2,3,4,5-tetramethoxyphenyl)prop-2-enal

(2e)-3-(2,3,4,5-tetramethoxyphenyl)prop-2-enal

C13H16O5 (252.0998)


   

(3r,4s)-8-hydroxy-3-(hydroxymethyl)-6-methoxy-4,5-dimethyl-3,4-dihydro-2-benzopyran-1-one

(3r,4s)-8-hydroxy-3-(hydroxymethyl)-6-methoxy-4,5-dimethyl-3,4-dihydro-2-benzopyran-1-one

C13H16O5 (252.0998)


   

(3ar,4r,8as,8br)-3a,4-dihydroxy-6,8b-dimethyl-1h,4h,5h,8h,8ah-indeno[4,5-c]furan-3,7-dione

(3ar,4r,8as,8br)-3a,4-dihydroxy-6,8b-dimethyl-1h,4h,5h,8h,8ah-indeno[4,5-c]furan-3,7-dione

C13H16O5 (252.0998)


   

(3s,4s)-4,8-dihydroxy-6-methoxy-3,4,5-trimethyl-3h-2-benzopyran-1-one

(3s,4s)-4,8-dihydroxy-6-methoxy-3,4,5-trimethyl-3h-2-benzopyran-1-one

C13H16O5 (252.0998)


   

(3s)-3-hydroxy-6,7-dimethoxy-2,2-dimethyl-3h-1-benzopyran-4-one

(3s)-3-hydroxy-6,7-dimethoxy-2,2-dimethyl-3h-1-benzopyran-4-one

C13H16O5 (252.0998)


   

7-hydroxy-3-(1-hydroxyethyl)-5-methoxy-3,4-dimethyl-2-benzofuran-1-one

7-hydroxy-3-(1-hydroxyethyl)-5-methoxy-3,4-dimethyl-2-benzofuran-1-one

C13H16O5 (252.0998)


   

(2e)-1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]but-2-en-1-one

(2e)-1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]but-2-en-1-one

C13H16O5 (252.0998)


   

(4r)-4,8-dihydroxy-7-(2-hydroxyethyl)-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

(4r)-4,8-dihydroxy-7-(2-hydroxyethyl)-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

C13H16O5 (252.0998)


   

7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

C13H16O5 (252.0998)


   

3-[(3s)-3-carboxy-3-methylpropyl]-4-methoxybenzoic acid

3-[(3s)-3-carboxy-3-methylpropyl]-4-methoxybenzoic acid

C13H16O5 (252.0998)


   

(3s,4s)-7-ethyl-3,4,8-trihydroxy-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

(3s,4s)-7-ethyl-3,4,8-trihydroxy-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

C13H16O5 (252.0998)


   

6-hydroxy-1-(2,4,5-trihydroxy-3-methylphenyl)hex-4-en-1-one

6-hydroxy-1-(2,4,5-trihydroxy-3-methylphenyl)hex-4-en-1-one

C13H16O5 (252.0998)


   

(3r)-6-(hydroxymethyl)-7,8-dimethoxy-3-methyl-3,4-dihydro-2-benzopyran-1-one

(3r)-6-(hydroxymethyl)-7,8-dimethoxy-3-methyl-3,4-dihydro-2-benzopyran-1-one

C13H16O5 (252.0998)


   

3-ethyl-5,6,7-trimethoxy-3h-2-benzofuran-1-one

3-ethyl-5,6,7-trimethoxy-3h-2-benzofuran-1-one

C13H16O5 (252.0998)


   

4-[(3s)-3-hydroxybutanoyl]-3-methoxy-5-methylbenzoic acid

4-[(3s)-3-hydroxybutanoyl]-3-methoxy-5-methylbenzoic acid

C13H16O5 (252.0998)


   

(3s)-3-(acetyloxy)-5-(4-hydroxyphenyl)pentanoic acid

(3s)-3-(acetyloxy)-5-(4-hydroxyphenyl)pentanoic acid

C13H16O5 (252.0998)


   

2,4-dihydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)-6-methoxybenzaldehyde

2,4-dihydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)-6-methoxybenzaldehyde

C13H16O5 (252.0998)


   

(2e)-3-{4-[(1,3-dihydroxypropan-2-yl)oxy]-3-methoxyphenyl}prop-2-enal

(2e)-3-{4-[(1,3-dihydroxypropan-2-yl)oxy]-3-methoxyphenyl}prop-2-enal

C13H16O5 (252.0998)


   

(4r,6r)-6-[(1s,2r)-1,2-dihydroxy-2-phenylethyl]-4-hydroxyoxan-2-one

(4r,6r)-6-[(1s,2r)-1,2-dihydroxy-2-phenylethyl]-4-hydroxyoxan-2-one

C13H16O5 (252.0998)


   

4,8-dihydroxy-7-(1-hydroxyethyl)-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

4,8-dihydroxy-7-(1-hydroxyethyl)-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

C13H16O5 (252.0998)


   

4-[(2r)-2-hydroxybutanoyl]-3-methoxy-5-methylbenzoic acid

4-[(2r)-2-hydroxybutanoyl]-3-methoxy-5-methylbenzoic acid

C13H16O5 (252.0998)


   

3-(acetyloxy)-5-(4-hydroxyphenyl)pentanoic acid

3-(acetyloxy)-5-(4-hydroxyphenyl)pentanoic acid

C13H16O5 (252.0998)


   

methyl 7-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate

methyl 7-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate

C13H16O5 (252.0998)


   

3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-one

3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-one

C13H16O5 (252.0998)


   

(2s,6r,7r,9s,10s)-9-hydroxy-7-methoxy-10-methyl-11-oxatricyclo[6.4.0.0²,⁶]dodec-1(8)-ene-5,12-dione

(2s,6r,7r,9s,10s)-9-hydroxy-7-methoxy-10-methyl-11-oxatricyclo[6.4.0.0²,⁶]dodec-1(8)-ene-5,12-dione

C13H16O5 (252.0998)


   

2,4-dihydroxy-3-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-6-methoxybenzaldehyde

2,4-dihydroxy-3-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-6-methoxybenzaldehyde

C13H16O5 (252.0998)


   

4-hydroxy-2-(2,4,5-trimethoxyphenyl)but-2-enal

4-hydroxy-2-(2,4,5-trimethoxyphenyl)but-2-enal

C13H16O5 (252.0998)


   

(3s,4s)-3,8-dihydroxy-6-methoxy-3,4,5-trimethyl-4h-2-benzopyran-1-one

(3s,4s)-3,8-dihydroxy-6-methoxy-3,4,5-trimethyl-4h-2-benzopyran-1-one

C13H16O5 (252.0998)


   

(2s,3r,4s,5s)-2-(hydroxymethyl)-5-(purin-9-yl)oxolane-3,4-diol

(2s,3r,4s,5s)-2-(hydroxymethyl)-5-(purin-9-yl)oxolane-3,4-diol

C10H12N4O4 (252.0859)


   

5,5-dimethyl-4,13-diazatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-1,3,6,8,10,12(15),13-heptaene-3,14-diol

5,5-dimethyl-4,13-diazatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-1,3,6,8,10,12(15),13-heptaene-3,14-diol

C15H12N2O2 (252.0899)


   

(3s,4r,5s)-4-(2,3-dihydroxy-4-methylphenyl)-3-hydroxy-5-methyloxan-2-one

(3s,4r,5s)-4-(2,3-dihydroxy-4-methylphenyl)-3-hydroxy-5-methyloxan-2-one

C13H16O5 (252.0998)


   

3-[(3,3-dimethyloxiran-2-yl)methyl]-2,4-dihydroxy-6-methoxybenzaldehyde

3-[(3,3-dimethyloxiran-2-yl)methyl]-2,4-dihydroxy-6-methoxybenzaldehyde

C13H16O5 (252.0998)


   

13-hydroxy-7,17-diazatetracyclo[8.7.0.0³,⁷.0¹¹,¹⁶]heptadeca-1(10),3,5,11,13,15-hexaen-2-one

13-hydroxy-7,17-diazatetracyclo[8.7.0.0³,⁷.0¹¹,¹⁶]heptadeca-1(10),3,5,11,13,15-hexaen-2-one

C15H12N2O2 (252.0899)


   

(1s,5s,7r,8r)-5-[(1r)-1-hydroxyethyl]-7-methoxy-4-oxatricyclo[6.3.0.0²,⁶]undec-2(6)-ene-3,9-dione

(1s,5s,7r,8r)-5-[(1r)-1-hydroxyethyl]-7-methoxy-4-oxatricyclo[6.3.0.0²,⁶]undec-2(6)-ene-3,9-dione

C13H16O5 (252.0998)


   

(2s,6r,7r,9s,10r)-9-hydroxy-7-methoxy-10-methyl-11-oxatricyclo[6.4.0.0²,⁶]dodec-1(8)-ene-5,12-dione

(2s,6r,7r,9s,10r)-9-hydroxy-7-methoxy-10-methyl-11-oxatricyclo[6.4.0.0²,⁶]dodec-1(8)-ene-5,12-dione

C13H16O5 (252.0998)


   

1-(3,4,7-trihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)ethanone

1-(3,4,7-trihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)ethanone

C13H16O5 (252.0998)


   

(3r)-3-ethoxy-4-(hydroxymethyl)-7-methoxy-6-methyl-3h-2-benzofuran-1-one

(3r)-3-ethoxy-4-(hydroxymethyl)-7-methoxy-6-methyl-3h-2-benzofuran-1-one

C13H16O5 (252.0998)


   

(2r)-2-{[(2r,3s,4r,5r,6s)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}propanoic acid

(2r)-2-{[(2r,3s,4r,5r,6s)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}propanoic acid

C9H16O8 (252.0845)


   

3-hydroxypropyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

3-hydroxypropyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C13H16O5 (252.0998)


   

methyl (2r,3r)-3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate

methyl (2r,3r)-3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate

C13H16O5 (252.0998)


   

(3r,4s)-6,8-dihydroxy-3,4,5-trimethyl-3,4-dihydro-1h-2-benzopyran-7-carboxylic acid

(3r,4s)-6,8-dihydroxy-3,4,5-trimethyl-3,4-dihydro-1h-2-benzopyran-7-carboxylic acid

C13H16O5 (252.0998)


   

3-(1-hydroxyethyl)-5,7-dimethoxy-3-methyl-2-benzofuran-1-one

3-(1-hydroxyethyl)-5,7-dimethoxy-3-methyl-2-benzofuran-1-one

C13H16O5 (252.0998)


   

4-(2,3-dihydroxy-4-methylphenyl)-3-hydroxy-5-methyloxan-2-one

4-(2,3-dihydroxy-4-methylphenyl)-3-hydroxy-5-methyloxan-2-one

C13H16O5 (252.0998)


   

3-hydroxy-4'-(1-hydroxyethyl)-3,4,4a,7a-tetrahydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-5'-one

3-hydroxy-4'-(1-hydroxyethyl)-3,4,4a,7a-tetrahydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-5'-one

C13H16O5 (252.0998)


   

{5-[(dimethylamino)methyl]-2-iminoimidazolidin-1-yl}oxy(methoxy)phosphinic acid

{5-[(dimethylamino)methyl]-2-iminoimidazolidin-1-yl}oxy(methoxy)phosphinic acid

C7H17N4O4P (252.0987)


   

4-(4-hydroxy-3,5-dimethoxyphenyl)-5-methyloxolan-2-one

4-(4-hydroxy-3,5-dimethoxyphenyl)-5-methyloxolan-2-one

C13H16O5 (252.0998)


   

4-(4-hydroxybutanoyl)-3-methoxy-5-methylbenzoic acid

4-(4-hydroxybutanoyl)-3-methoxy-5-methylbenzoic acid

C13H16O5 (252.0998)


   

2-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}propanoic acid

2-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}propanoic acid

C9H16O8 (252.0845)


   

inosine, 2'-deoxy-

inosine, 2'-deoxy-

C10H12N4O4 (252.0859)


   

(2s)-2-(5,6-dimethoxy-1-benzofuran-2-yl)propane-1,2-diol

(2s)-2-(5,6-dimethoxy-1-benzofuran-2-yl)propane-1,2-diol

C13H16O5 (252.0998)


   

4-[(2s)-2-hydroxybutanoyl]-3-methoxy-5-methylbenzoic acid

4-[(2s)-2-hydroxybutanoyl]-3-methoxy-5-methylbenzoic acid

C13H16O5 (252.0998)


   

methyl 3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate

methyl 3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate

C13H16O5 (252.0998)


   

(3r)-7-hydroxy-3-[(1s)-1-hydroxyethyl]-5-methoxy-3,4-dimethyl-2-benzofuran-1-one

(3r)-7-hydroxy-3-[(1s)-1-hydroxyethyl]-5-methoxy-3,4-dimethyl-2-benzofuran-1-one

C13H16O5 (252.0998)


   

(3r)-3-(hydroxymethyl)-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one

(3r)-3-(hydroxymethyl)-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one

C15H12N2O2 (252.0899)


   

2-(5,6-dimethoxy-1-benzofuran-2-yl)propane-1,2-diol

2-(5,6-dimethoxy-1-benzofuran-2-yl)propane-1,2-diol

C13H16O5 (252.0998)


   

2'-deoxy-inosine

2'-deoxy-inosine

C10H12N4O4 (252.0859)


   

3-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one

3-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one

C15H12N2O2 (252.0899)


   

4,9,10-trihydroxy-3-methylidene-6-(prop-1-en-1-yl)-2-oxaspiro[4.5]dec-7-en-1-one

4,9,10-trihydroxy-3-methylidene-6-(prop-1-en-1-yl)-2-oxaspiro[4.5]dec-7-en-1-one

C13H16O5 (252.0998)


   

(3s,4ar,7s,7as)-3-hydroxy-4'-[(1s)-1-hydroxyethyl]-3,4,4a,7a-tetrahydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-5'-one

(3s,4ar,7s,7as)-3-hydroxy-4'-[(1s)-1-hydroxyethyl]-3,4,4a,7a-tetrahydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-5'-one

C13H16O5 (252.0998)


   

2-[(4-hydroxyphenyl)methyl]quinazolin-4-ol

2-[(4-hydroxyphenyl)methyl]quinazolin-4-ol

C15H12N2O2 (252.0899)


   

8-hydroxy-3-(3-hydroxypropyl)-7-methoxy-3,4-dihydro-2-benzopyran-1-one

8-hydroxy-3-(3-hydroxypropyl)-7-methoxy-3,4-dihydro-2-benzopyran-1-one

C13H16O5 (252.0998)


   

(2r)-2,5-dihydroxy-2-isopropyl-7-methoxy-3h-1-benzopyran-4-one

(2r)-2,5-dihydroxy-2-isopropyl-7-methoxy-3h-1-benzopyran-4-one

C13H16O5 (252.0998)


   

methyl 3,4-dihydroxy-5-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]benzoate

methyl 3,4-dihydroxy-5-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]benzoate

C13H16O5 (252.0998)


   

6-ethenyl-4a,5-dihydroxy-3-(methoxymethyl)-6,7-dihydro-5h-chromen-4-one

6-ethenyl-4a,5-dihydroxy-3-(methoxymethyl)-6,7-dihydro-5h-chromen-4-one

C13H16O5 (252.0998)


   

(1s,5r,7r,8r)-5-[(1s)-1-hydroxyethyl]-7-methoxy-4-oxatricyclo[6.3.0.0²,⁶]undec-2(6)-ene-3,9-dione

(1s,5r,7r,8r)-5-[(1s)-1-hydroxyethyl]-7-methoxy-4-oxatricyclo[6.3.0.0²,⁶]undec-2(6)-ene-3,9-dione

C13H16O5 (252.0998)


   

(3r)-3-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one

(3r)-3-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one

C15H12N2O2 (252.0899)


   

4,8-dihydroxy-7-(2-hydroxyethyl)-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

4,8-dihydroxy-7-(2-hydroxyethyl)-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

C13H16O5 (252.0998)


   

1-[2-(4-hydroxyphenyl)ethyl] 4-methyl butanedioate

1-[2-(4-hydroxyphenyl)ethyl] 4-methyl butanedioate

C13H16O5 (252.0998)


   

(4s,5s)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-methyloxolan-2-one

(4s,5s)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-methyloxolan-2-one

C13H16O5 (252.0998)


   

(1s)-1-ethoxy-8-hydroxy-6-methoxy-3,4-dihydro-1h-2-benzopyran-7-carbaldehyde

(1s)-1-ethoxy-8-hydroxy-6-methoxy-3,4-dihydro-1h-2-benzopyran-7-carbaldehyde

C13H16O5 (252.0998)


   

(2s,6r,7r,9r,10s)-9-hydroxy-7-methoxy-10-methyl-11-oxatricyclo[6.4.0.0²,⁶]dodec-1(8)-ene-5,12-dione

(2s,6r,7r,9r,10s)-9-hydroxy-7-methoxy-10-methyl-11-oxatricyclo[6.4.0.0²,⁶]dodec-1(8)-ene-5,12-dione

C13H16O5 (252.0998)


   

(3s,4r)-6,8-dihydroxy-3,4,5-trimethyl-3,4-dihydro-1h-2-benzopyran-7-carboxylic acid

(3s,4r)-6,8-dihydroxy-3,4,5-trimethyl-3,4-dihydro-1h-2-benzopyran-7-carboxylic acid

C13H16O5 (252.0998)


   

4-[(1s,2s,5s,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-3-yn-1-yl acetate

4-[(1s,2s,5s,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-3-yn-1-yl acetate

C13H16O5 (252.0998)


   

(4s)-4,8-dihydroxy-7-[(1s)-1-hydroxyethyl]-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

(4s)-4,8-dihydroxy-7-[(1s)-1-hydroxyethyl]-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

C13H16O5 (252.0998)


   

(4as,5r,6s)-6-ethenyl-4a,5-dihydroxy-3-(methoxymethyl)-6,7-dihydro-5h-chromen-4-one

(4as,5r,6s)-6-ethenyl-4a,5-dihydroxy-3-(methoxymethyl)-6,7-dihydro-5h-chromen-4-one

C13H16O5 (252.0998)


   

(2e)-4-hydroxy-2-(2,4,5-trimethoxyphenyl)but-2-enal

(2e)-4-hydroxy-2-(2,4,5-trimethoxyphenyl)but-2-enal

C13H16O5 (252.0998)


   

benzopyrene

benzopyrene

C20H12 (252.0939)


   

3-{[(2s)-3,3-dimethyloxiran-2-yl]methyl}-2,4-dihydroxy-6-methoxybenzaldehyde

3-{[(2s)-3,3-dimethyloxiran-2-yl]methyl}-2,4-dihydroxy-6-methoxybenzaldehyde

C13H16O5 (252.0998)


   

1-[(3r,4s)-3,4,7-trihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]ethanone

1-[(3r,4s)-3,4,7-trihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]ethanone

C13H16O5 (252.0998)


   

4-{2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-2-methylbut-3-yn-1-yl acetate

4-{2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-2-methylbut-3-yn-1-yl acetate

C13H16O5 (252.0998)


   

5,6-dihydroxy-3-methoxy-7-methyl-3-propyl-2-benzofuran-1-one

5,6-dihydroxy-3-methoxy-7-methyl-3-propyl-2-benzofuran-1-one

C13H16O5 (252.0998)


   

1-ethoxy-8-hydroxy-6-methoxy-3,4-dihydro-1h-2-benzopyran-7-carbaldehyde

1-ethoxy-8-hydroxy-6-methoxy-3,4-dihydro-1h-2-benzopyran-7-carbaldehyde

C13H16O5 (252.0998)


   

methyl 3,4-dihydroxy-5-(2-hydroxy-3-methylbut-3-en-1-yl)benzoate

methyl 3,4-dihydroxy-5-(2-hydroxy-3-methylbut-3-en-1-yl)benzoate

C13H16O5 (252.0998)


   

1-[(3r,4r)-3,4,7-trihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]ethanone

1-[(3r,4r)-3,4,7-trihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]ethanone

C13H16O5 (252.0998)


   

2,7,11,13-tetraazapentacyclo[12.3.1.0⁴,¹⁷.0⁷,¹⁶.0¹⁰,¹⁵]octadeca-1,3,5,14,16-pentaen-18-one

2,7,11,13-tetraazapentacyclo[12.3.1.0⁴,¹⁷.0⁷,¹⁶.0¹⁰,¹⁵]octadeca-1,3,5,14,16-pentaen-18-one

C14H12N4O (252.1011)


   

8-hydroxy-3-(hydroxymethyl)-6-methoxy-4,5-dimethyl-3,4-dihydro-2-benzopyran-1-one

8-hydroxy-3-(hydroxymethyl)-6-methoxy-4,5-dimethyl-3,4-dihydro-2-benzopyran-1-one

C13H16O5 (252.0998)


   

4,8-dihydroxy-6-methoxy-3,4,5-trimethyl-3h-2-benzopyran-1-one

4,8-dihydroxy-6-methoxy-3,4,5-trimethyl-3h-2-benzopyran-1-one

C13H16O5 (252.0998)


   

ethyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

ethyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C13H16O5 (252.0998)


   

(5s,6s)-6-[(1s,2s)-1,2-dihydroxy-2-phenylethyl]-5-hydroxyoxan-2-one

(5s,6s)-6-[(1s,2s)-1,2-dihydroxy-2-phenylethyl]-5-hydroxyoxan-2-one

C13H16O5 (252.0998)


   

(2r,3r)-7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

(2r,3r)-7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

C13H16O5 (252.0998)


   

(3r)-7-hydroxy-3-(3-hydroxypropyl)-8-methoxy-3,4-dihydro-2-benzopyran-1-one

(3r)-7-hydroxy-3-(3-hydroxypropyl)-8-methoxy-3,4-dihydro-2-benzopyran-1-one

C13H16O5 (252.0998)


   

[(5s)-5-[(dimethylamino)methyl]-2-iminoimidazolidin-1-yl]oxy(methoxy)phosphinic acid

[(5s)-5-[(dimethylamino)methyl]-2-iminoimidazolidin-1-yl]oxy(methoxy)phosphinic acid

C7H17N4O4P (252.0987)


   

(1r,2s,6s,8s,11r)-1,2-dihydroxy-4,8,11-trimethyl-9-oxatricyclo[6.2.1.0²,⁶]undec-4-ene-3,10-dione

(1r,2s,6s,8s,11r)-1,2-dihydroxy-4,8,11-trimethyl-9-oxatricyclo[6.2.1.0²,⁶]undec-4-ene-3,10-dione

C13H16O5 (252.0998)


   

9-hydroxy-7-methoxy-10-methyl-11-oxatricyclo[6.4.0.0²,⁶]dodec-1(8)-ene-5,12-dione

9-hydroxy-7-methoxy-10-methyl-11-oxatricyclo[6.4.0.0²,⁶]dodec-1(8)-ene-5,12-dione

C13H16O5 (252.0998)


   

methyl (2s)-7-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate

methyl (2s)-7-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate

C13H16O5 (252.0998)


   

6,8-dihydroxy-3,4,5-trimethyl-3,4-dihydro-1h-2-benzopyran-7-carboxylic acid

6,8-dihydroxy-3,4,5-trimethyl-3,4-dihydro-1h-2-benzopyran-7-carboxylic acid

C13H16O5 (252.0998)


   

7-ethyl-3,4,8-trihydroxy-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

7-ethyl-3,4,8-trihydroxy-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

C13H16O5 (252.0998)


   

3-(2,3,4,5-tetramethoxyphenyl)prop-2-enal

3-(2,3,4,5-tetramethoxyphenyl)prop-2-enal

C13H16O5 (252.0998)


   

methyl (2e)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate

methyl (2e)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate

C13H16O5 (252.0998)


   

6-(1,2-dihydroxy-2-phenylethyl)-4-hydroxyoxan-2-one

6-(1,2-dihydroxy-2-phenylethyl)-4-hydroxyoxan-2-one

C13H16O5 (252.0998)


   

[(6s,13s)-13-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,8-trien-6-yl]methanol

[(6s,13s)-13-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,8-trien-6-yl]methanol

C12H16N2O4 (252.111)


   

3-(hydroxymethyl)-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one

3-(hydroxymethyl)-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one

C15H12N2O2 (252.0899)


   

3-hydroxy-6,7-dimethoxy-2,2-dimethyl-3h-1-benzopyran-4-one

3-hydroxy-6,7-dimethoxy-2,2-dimethyl-3h-1-benzopyran-4-one

C13H16O5 (252.0998)


   

(3r)-8-hydroxy-6,7-dimethoxy-3,5-dimethyl-3,4-dihydro-2-benzopyran-1-one

(3r)-8-hydroxy-6,7-dimethoxy-3,5-dimethyl-3,4-dihydro-2-benzopyran-1-one

C13H16O5 (252.0998)


   

(4r,5s,6r,9r,10r)-4,9,10-trihydroxy-3-methylidene-6-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-7-en-1-one

(4r,5s,6r,9r,10r)-4,9,10-trihydroxy-3-methylidene-6-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-7-en-1-one

C13H16O5 (252.0998)


   

(2s,4s)-2-amino-4-hydroxy-5-{[hydroxy(phenyl)methylidene]amino}pentanoic acid

(2s,4s)-2-amino-4-hydroxy-5-{[hydroxy(phenyl)methylidene]amino}pentanoic acid

C12H16N2O4 (252.111)


   

3-[5-(2-carboxyethyl)-6-ethylpyrazin-2-yl]propanoic acid

3-[5-(2-carboxyethyl)-6-ethylpyrazin-2-yl]propanoic acid

C12H16N2O4 (252.111)


   

(2s,3s,4r)-3-hydroxy-4-methoxy-2-methyl-7-[(1e)-prop-1-en-1-yl]-2h,3h,4h-pyrano[4,3-b]pyran-5-one

(2s,3s,4r)-3-hydroxy-4-methoxy-2-methyl-7-[(1e)-prop-1-en-1-yl]-2h,3h,4h-pyrano[4,3-b]pyran-5-one

C13H16O5 (252.0998)


   

13-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one

13-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one

C15H12N2O2 (252.0899)


   

4-(ethoxymethyl)-5-hydroxy-7-methoxy-6-methyl-3h-2-benzofuran-1-one

4-(ethoxymethyl)-5-hydroxy-7-methoxy-6-methyl-3h-2-benzofuran-1-one

C13H16O5 (252.0998)


   

(3r,4ar,7s,7as)-3-hydroxy-4'-[(1s)-1-hydroxyethyl]-3,4,4a,7a-tetrahydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-5'-one

(3r,4ar,7s,7as)-3-hydroxy-4'-[(1s)-1-hydroxyethyl]-3,4,4a,7a-tetrahydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-5'-one

C13H16O5 (252.0998)


   

2,5-dihydroxy-2-isopropyl-7-methoxy-3h-1-benzopyran-4-one

2,5-dihydroxy-2-isopropyl-7-methoxy-3h-1-benzopyran-4-one

C13H16O5 (252.0998)


   

methyl (2z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

methyl (2z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

C13H16O5 (252.0998)


   

4-(3-hydroxybutanoyl)-3-methoxy-5-methylbenzoic acid

4-(3-hydroxybutanoyl)-3-methoxy-5-methylbenzoic acid

C13H16O5 (252.0998)


   

(4r)-4,8-dihydroxy-7-[(1r)-1-hydroxyethyl]-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

(4r)-4,8-dihydroxy-7-[(1r)-1-hydroxyethyl]-6-methoxy-3,4-dihydro-2h-naphthalen-1-one

C13H16O5 (252.0998)


   

(4r,6r)-6-[(1r,2r)-1,2-dihydroxy-2-phenylethyl]-4-hydroxyoxan-2-one

(4r,6r)-6-[(1r,2r)-1,2-dihydroxy-2-phenylethyl]-4-hydroxyoxan-2-one

C13H16O5 (252.0998)


   

3-{4-[(1,3-dihydroxypropan-2-yl)oxy]-3-methoxyphenyl}prop-2-enal

3-{4-[(1,3-dihydroxypropan-2-yl)oxy]-3-methoxyphenyl}prop-2-enal

C13H16O5 (252.0998)


   

methyl 2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)benzoate

methyl 2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)benzoate

C13H16O5 (252.0998)


   

4-(2-hydroxybutanoyl)-3-methoxy-5-methylbenzoic acid

4-(2-hydroxybutanoyl)-3-methoxy-5-methylbenzoic acid

C13H16O5 (252.0998)


   

12-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one

12-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one

C15H12N2O2 (252.0899)


   

ethyl 3-(7-methoxy-2h-1,3-benzodioxol-5-yl)propanoate

ethyl 3-(7-methoxy-2h-1,3-benzodioxol-5-yl)propanoate

C13H16O5 (252.0998)


   

2,3,4-trihydroxybutyl (2e)-3-phenylprop-2-enoate

2,3,4-trihydroxybutyl (2e)-3-phenylprop-2-enoate

C13H16O5 (252.0998)