Exact Mass: 226.0841194
Exact Mass Matches: 226.0841194
Found 500 metabolites which its exact mass value is equals to given mass value 226.0841194,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Genipin
Genipin is found in beverages. Genipin is a constituent of Genipa americana (genipap) Genipin is an aglycone derived from an iridoid glycoside called geniposide present in fruit of Gardenia jasminoides. Genipin is an excellent natural cross-linker for proteins, collagen, gelatin, and chitosan cross-linking. It has a low acute toxicity, with LD50 i.v. 382 mg/kg in mice, therefore, much less toxic than glutaraldehyde and many other commonly used synthetic cross-linking regents. It is also used for pharmaceutical purposes, such as choleretic action for liver diseases control Genipin is an iridoid monoterpenoid. It has a role as an uncoupling protein inhibitor, a hepatotoxic agent, an apoptosis inhibitor, an antioxidant, an anti-inflammatory agent and a cross-linking reagent. Genipin is a natural product found in Gardenia jasminoides, Rothmannia globosa, and other organisms with data available. D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics Constituent of Genipa americana (genipap) Genipin ((+)-Genipin) is a natural crosslinking reagent derived from Gardenia jasminoides Ellis fruits. Genipin inhibits UCP2 (uncoupling protein 2) in cells. Genipin has a variety of bioactivities, including modulation on proteins, antitumor, anti-inflammation, immunosuppression, antithrombosis, and protection of hippocampal neurons. Genipin also can be used for type 2 diabetes research[1][2]. Genipin ((+)-Genipin) is a natural crosslinking reagent derived from Gardenia jasminoides Ellis fruits. Genipin inhibits UCP2 (uncoupling protein 2) in cells. Genipin has a variety of bioactivities, including modulation on proteins, antitumor, anti-inflammation, immunosuppression, antithrombosis, and protection of hippocampal neurons. Genipin also can be used for type 2 diabetes research[1][2]. Genipin ((+)-Genipin) is a natural crosslinking reagent derived from Gardenia jasminoides Ellis fruits. Genipin inhibits UCP2 (uncoupling protein 2) in cells. Genipin has a variety of bioactivities, including modulation on proteins, antitumor, anti-inflammation, immunosuppression, antithrombosis, and protection of hippocampal neurons. Genipin also can be used for type 2 diabetes research[1][2].
Porphobilinogen
Porphobilinogen (PBG) is a pyrrole-containing intermediate in the biosynthesis of porphyrins. It is generated from aminolevulinate (ALA) by the enzyme ALA dehydratase. Porphobilinogen is then converted into hydroxymethylbilane by the enzyme porphobilinogen deaminase (also known as hydroxymethylbilane synthase). Under certain conditions, porphobilinogen can act as a phototoxin, a neurotoxin, and a metabotoxin. A phototoxin leads to cell damage upon exposure to light. A neurotoxin causes damage to nerve cells and nerve tissues. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of porphyrins are associated with porphyrias such as porphyria variegate, acute intermittent porphyria, and hereditary coproporphyria (HCP). There are several types of porphyrias (most are inherited). Hepatic porphyrias are characterized by acute neurological attacks (seizures, psychosis, extreme back and abdominal pain, and an acute polyneuropathy), while the erythropoietic forms present with skin problems (usually a light-sensitive blistering rash and increased hair growth). The neurotoxicity of porphyrins may be due to their selective interactions with tubulin, which disrupt microtubule formation and cause neural malformations (PMID: 3441503). Porphobilinogen is a pyrrole involved in porphyrin metabolism. -- Wikipedia; It consists of a pyrrole ring with acetyl, propionyl, and aminomethyl side chains; It is a key monopyrrolic intermediate in porphyrin, chlorophyll and vitamin B12 biosynthesis. Porphobilinogen is generated by the enzyme ALA dehydratase by combining two molecules of dALA together, and converted into hydroxymethyl bilane by the enzyme porphobilinogen deaminase. 4 molecules of porphobilinogen are condensed to form one molecule of uroporphyrinogen III, which is then converted successively to coproporphyrinogen III, protoporphyrin IX, and heme. Porphobilinogen is produced in excess and excreted in the urine in acute intermittent porphyria and several other porphyrias. [HMDB]. Porphobilinogen is found in many foods, some of which are strawberry guava, amaranth, parsnip, and ostrich fern.
Deoxylapachol
2-demethylmenaquinone is a naphthoquinone and a member of p-quinones. It has a role as an Escherichia coli metabolite. Deoxylapachol is a natural product found in Tectona grandis, Handroanthus impetiginosus, and other organisms with data available. Deoxylapachol is a major cytotoxic component of New Zealand brown alga, Landsburgia quercifolia. Deoxylapachol has antifungal and anti-cancer activity[1]. Deoxylapachol is a major cytotoxic component of New Zealand brown alga, Landsburgia quercifolia. Deoxylapachol has antifungal and anti-cancer activity[1].
5-Acetylamino-6-formylamino-3-methyluracil
5-Acetylamino-6-formylamino-3-methyluracil participates in Caffeine metabolism. 5-Acetylamino-6-formylamino-3-methyluracil is converted from paraxanthine via arylamine N-acetyltransferase [EC:2.3.1.5] [HMDB] 5-Acetylamino-6-formylamino-3-methyluracil participates in Caffeine metabolism. 5-Acetylamino-6-formylamino-3-methyluracil is converted from paraxanthine via arylamine N-acetyltransferase [EC:2.3.1.5].
Cyclopenta[cd]pyrene
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
5,10-dihydrophenazine-1-carboxylic acid
C13H10N2O2 (226.07422400000002)
A member of the class of phenazines that is 5,10-dihydrophenazine substituted at position 1 by a carboxy group.
1,3,7-trimethyl-5-hydroxyisourate
A member of the class of oxopurines that is 5-hydroxyisouric acid carrying three additional methyl substituents at positions 1, 3 and 7.
(10aS)-10,10a-Dihydrophenazine-1-carboxylate
C13H10N2O2 (226.07422400000002)
Carbidopa
Carbidopa (anhydrous) is 3-(3,4-Dihydroxyphenyl)propanoic acid in which the hydrogens alpha- to the carboxyl group are substituted by hydrazinyl and methyl groups (S-configuration). Carbidopa is a dopa decarboxylase inhibitor, so prevents conversion of levodopa to dopamine. It has no antiparkinson activity by itself, but is used (commonly as its hydrate) in the management of Parkinsons disease to reduce peripheral adverse effects of levodopa. It has a role as an EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor, an antiparkinson drug and a dopaminergic agent. It is a member of hydrazines, a monocarboxylic acid and a member of catechols. Carbidopa presents a chemical denomination of N-amino-alpha-methyl-3-hydroxy-L-tyrosine monohydrate. It potently inhibits aromatic amino acid decarboxylase (DDC) and due to its chemical properties, it does not cross the blood-brain barrier. Due to its activity, carbidopa is always administered concomitantly with [levodopa]. An individual formulation containing solely carbidopa was generated to treat nausea in patients where the combination therapy [levodopa]/carbidopa is not efficient reducing nausea. The first approved product by the FDA containing only carbidopa was developed by Amerigens Pharmaceuticals Ltd and approved on 2014. On the other hand, the combination treatment of carbidopa/levodopa was originally developed by Watson Labs but the historical information by the FDA brings back to the approval of this combination therapy developed by Mayne Pharma in 1992. Carbidopa Anhydrous is the anhydrous, levorotatory isomer of a synthetic hydrazine derivative of the neurotransmitter dopamine. Carbidopa, a peripheral dopa decarboxylase inhibitor, is used as an adjunct with levodopa to prevent levodopa degradation to dopamine in extracerebral tissue, thereby decreasing the peripheral side effects of levodopa. Carbidopa does not penetrate the blood brain barrier; therefore, it does not interfere with the central nervous system (CNS) metabolism of levodopa to the active neurotransmitter dopamine which, in high concentrations in the brain, has anti-parkinsonian effects. An inhibitor of DOPA DECARBOXYLASE that prevents conversion of LEVODOPA to dopamine. It is used in PARKINSON DISEASE to reduce peripheral adverse effects of LEVODOPA. It has no anti-parkinson activity by itself. Carbidopa is only found in individuals that have used or taken this drug. It is an inhibitor of DOPA decarboxylase, preventing conversion of levodopa to dopamine. It is used in parkinson disease to reduce peripheral adverse effects of levodopa. It has no antiparkinson actions by itself. [PubChem]When mixed with levodopa, carbidopa inhibits the peripheral conversion of levodopa to dopamine and the decarboxylation of oxitriptan to serotonin by aromatic L-amino acid decarboxylase. This results in increased amount of levodopa and oxitriptan available for transport to the CNS. Carbidopa also inhibits the metabolism of levodopa in the GI tract, thus, increasing the bioavailability of levodopa. D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D065105 - Aromatic Amino Acid Decarboxylase Inhibitors C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents
2,4,6-Trimethoxyphenyl acetate
2,4,6-Trimethoxyphenyl acetate is a constituent of Eucalyptus globulus (Tasmanian blue gum). Constituent of Eucalyptus globulus (Tasmanian blue gum)
3-(4-Hydroxy-3-methoxyphenyl)-2-methyllactic acid
3-(4-Hydroxy-3-methoxyphenyl)-2-methyllactic acid is a metabolite of carbidopa. Carbidopa (Lodosyn) is a drug given to people with Parkinsons disease in order to inhibit peripheral metabolism of levodopa. This property is significant in that it allows a greater proportion of peripheral levodopa to cross the blood brain barrier for central nervous system effect. (Wikipedia)
2,3,4,5,6,7-Hexahydroxyheptanoic acid
2,3,4,5,6,7-Hexahydroxyheptanoic acid, also known as (2XI)-D-glycero-D-gulo-heptonic acid or (2XI)-D-gluco-heptonate, belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. 2,3,4,5,6,7-Hexahydroxyheptanoic acid is soluble (in water) and a weakly acidic compound (based on its pKa).
2-Phenylethyl benzoate
2-phenylethyl benzoate, also known as benzylcarbinyl benzoate, is a member of the class of compounds known as benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. 2-phenylethyl benzoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-phenylethyl benzoate is a balsam, floral, and honey tasting compound found in ceylon cinnamon and linden, which makes 2-phenylethyl benzoate a potential biomarker for the consumption of these food products. 2-Phenylethyl benzoate is found in ceylan cinnamon. 2-Phenylethyl benzoate is a flavouring ingredient.
3,4,5-Trimethoxyphenyl acetate
3,4,5-Trimethoxyphenyl acetate is a constituent of Eucalyptus globulus (Tasmanian blue gum)
Dihydrosinapic acid
Dihydrosinapic acid is a polyphenol metabolite detected in biological fluids (PMID: 20428313). Dihydrosinapic acid is a metabolite formed by the gut microflora detected after the consumption of whole grain. A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Phenylmethyl benzeneacetate
Phenylmethyl benzeneacetate is used in food flavouring. It is used in food flavouring.
p-Tolyl phenylacetate
p-Tolyl phenylacetate is a flavouring ingredient. Flavouring ingredient
4-Hydroxy-(3',4'-dihydroxyphenyl)-valeric acid
4-Hydroxy-(3,4-dihydroxyphenyl)-valeric acid is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid
3-Carboxy-4-methyl-5-ethyl-2-furanpropionic acid
DL-Carbidopa
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D065105 - Aromatic Amino Acid Decarboxylase Inhibitors D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents
7-Methyl-2-(2-furyl)-1,8-naphthyridine-4(1H)-one
C13H10N2O2 (226.07422400000002)
beta-CCM
C13H10N2O2 (226.07422400000002)
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants
Verbenalol
Verbenalol belongs to iridoids and derivatives class of compounds. Those are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open. Verbenalol is soluble (in water) and a very weakly acidic compound (based on its pKa). Verbenalol can be found in common verbena, which makes verbenalol a potential biomarker for the consumption of this food product.
L-arogenate
L-arogenate is also known as L-arogenic acid. L-arogenate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). L-arogenate can be found in a number of food items such as rye, rambutan, feijoa, and wild celery, which makes L-arogenate a potential biomarker for the consumption of these food products.
Sarracenin
Sarracenin is a iridoid isolated from roots and rhizomes of Patrinia heterophylla. Sarracenin shows cytotoxic activities against tumor cells[1]. Sarracenin is a iridoid isolated from roots and rhizomes of Patrinia heterophylla. Sarracenin shows cytotoxic activities against tumor cells[1].
1-Methoxycarbonyl-beta-carboline
C13H10N2O2 (226.07422400000002)
3-{[(Cyanoimino)(methylthio)methyl]amino}-2-oxoazepane
C9H14N4OS (226.08882739999999)
2-[2-(3-nitrophenyl)ethenyl]pyridine
C13H10N2O2 (226.07422400000002)
1-(5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
1-Acetyl-7-hydroxy-beta-carboline|Arenarine D
C13H10N2O2 (226.07422400000002)
3-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
methyl 5-[(1R)-1-hydroxyethyl]-gamma-oxofuran-2- butanoate
3-allyl-3a,5,6,6a-tetrahydro-2,4,3a,6a-tetrahydroxy-4H-pentalen-1-one|xialenon C
4-hydroxy-5-propionyl-1,3-di-o-methylpyrogallol
An aromatic ketone that is propan-1-one substituted by a 2,4-dihydroxy-3,5-dimethoxyphenyl group at position 1. It has been isolated from the leaves of Garcia parviflora.
2-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
cordicinol|methyl 2,4-dimethoxy-6-hydroxymethyl-benzoate
13-acetoxy-trideca-1,3t,5t,11t-tetraene-7,9-diyne|Ac-(all-E)-2,8,10,12-Tridecatetraene-4,6-diyn-l-ol|all-trans-Tridecatetraen-(2,8,10,12)-diin-(4,6)-yl-acetat
(2E,4E,6E,12Z)-Me ester-2,4,6,12-Tetradecatetraene-8,10-diynoic acid|Tetradeca-2,4,6,12-tetraen-8,10-diin-1-saeuremethylester
13-acetoxy-trideca-8t,10t-diene-2,4,6-triyne|3E,5E-tridecadien-7,9,11-triinyl acetate|Ac-(E,E)-3,5-Triecadiene-7,9,11-triyn-1-ol|Trideca-8,10-dien-2,4,6-triin-13-ol-acetat
1-Methyl-9H-beta-carboline-3-carboxylic acid
C13H10N2O2 (226.07422400000002)
ethyl 3-(3,4-dihydrophenyl)lactate|ethyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropionate
Methyl 3,4,5-trimethoxybenzoate
Methyl 3,4,5-trimethoxybenzoate can be synthesized from Gallic acid. Methyl 3,4,5-trimethoxybenzoate is mainly used in the production of Trimethoprim (TMP), Sulfa synergistic intermediates, and many other agents. Methyl 3,4,5-trimethoxybenzoate can be synthesized from Gallic acid. Methyl 3,4,5-trimethoxybenzoate is mainly used in the production of Trimethoprim (TMP), Sulfa synergistic intermediates, and many other agents.
methyl 3-(2,4-dihydroxy-5-methoxyphenyl) propionate
2H,5H-Pyrano(4,3-b)pyran-2-one, 7,8-dihydro-5-hydroxy-4-methoxy-7,8-dimethyl-
3-Hydroxy-3-(3-methoxy-4-hydroxyphenyl)propanoic acid methyl ester
1-(3-acetyl-5-methoxy-furan-2-yl)-3-hydroxy-butan-1-one|Pyrenocin B
1,1,6-trimethylazuleno[1,8-cd]pyran-3(1H)-one|oreolactone
2-(2,3,5-Trimethoxyphenyl)acetic acid
2-(2,3,5-Trimethoxyphenyl)acetic acid has been reported in Piper retrofractum
methyl 9H-pyrido[3,4-b]indole-1-carboxylate
C13H10N2O2 (226.07422400000002)
3,5,8-Trimethylazuleno<6,5-b>thiophen|3,5,8-Trimethylazuleno[6,5-b]thiophen
(2S,3R,4S,7S)-2,3,4,7-tetrahydro-3,4-dihydroxy-7-methyl-2-(1E)-1-propenyl-5H-furo[3,4-b]pyran-5-one|massarilactone B
TOB-5
C13H10N2O2 (226.07422400000002)
methyl 9H-pyrido[3,4-b]indole-1-carboxylate is a natural product found in Lycium chinense, Alstonia constricta, and other organisms with data available.
AI3-21154
Methyl EudesMate is a trihydroxybenzoic acid. Methyl 3,4,5-trimethoxybenzoate is a natural product found in Buxus natalensis, Eucalyptus aggregata, and other organisms with data available. Methyl 3,4,5-trimethoxybenzoate can be synthesized from Gallic acid. Methyl 3,4,5-trimethoxybenzoate is mainly used in the production of Trimethoprim (TMP), Sulfa synergistic intermediates, and many other agents. Methyl 3,4,5-trimethoxybenzoate can be synthesized from Gallic acid. Methyl 3,4,5-trimethoxybenzoate is mainly used in the production of Trimethoprim (TMP), Sulfa synergistic intermediates, and many other agents.
Spectrum5_000309
Pinosylvin methyl ether is a stilbenoid. Pinosylvin methyl ether is a natural product found in Alpinia hainanensis, Pinus contorta var. latifolia, and other organisms with data available.
Oprea1_468323
2-(3,4,5-trimethoxyphenyl)acetic acid is a member of methoxybenzenes. 3,4,5-Trimethoxyphenylacetic acid is a metabolite of Mescaline[1].
2,3-Dideoxythymidine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.365 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.357 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.359
Genipin
Genipin is an iridoid monoterpenoid. It has a role as an uncoupling protein inhibitor, a hepatotoxic agent, an apoptosis inhibitor, an antioxidant, an anti-inflammatory agent and a cross-linking reagent. Genipin is a natural product found in Gardenia jasminoides, Rothmannia globosa, and other organisms with data available. D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics relative retention time with respect to 9-anthracene Carboxylic Acid is 0.593 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.589 Genipin ((+)-Genipin) is a natural crosslinking reagent derived from Gardenia jasminoides Ellis fruits. Genipin inhibits UCP2 (uncoupling protein 2) in cells. Genipin has a variety of bioactivities, including modulation on proteins, antitumor, anti-inflammation, immunosuppression, antithrombosis, and protection of hippocampal neurons. Genipin also can be used for type 2 diabetes research[1][2]. Genipin ((+)-Genipin) is a natural crosslinking reagent derived from Gardenia jasminoides Ellis fruits. Genipin inhibits UCP2 (uncoupling protein 2) in cells. Genipin has a variety of bioactivities, including modulation on proteins, antitumor, anti-inflammation, immunosuppression, antithrombosis, and protection of hippocampal neurons. Genipin also can be used for type 2 diabetes research[1][2]. Genipin ((+)-Genipin) is a natural crosslinking reagent derived from Gardenia jasminoides Ellis fruits. Genipin inhibits UCP2 (uncoupling protein 2) in cells. Genipin has a variety of bioactivities, including modulation on proteins, antitumor, anti-inflammation, immunosuppression, antithrombosis, and protection of hippocampal neurons. Genipin also can be used for type 2 diabetes research[1][2].
5-DEOXYTHYMIDINE
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.399 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.394 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.396 5′-Deoxythymidine is a thymidine form which 5' position replaced with hydrogen. 5'-deoxy Thymidine is effective against Bacillus subtilis and Staphylococcus aureus. 5′-Deoxythymidine can be used as a research tool for antiviral and anticancer studies[1].
4,8-dihydroxy-3,7,8-trimethyl-5,7-dihydropyrano[4,3-b]pyran-2-one
porphobilinogen
A dicarboxylic acid that is pyrole bearing aminomethyl, carboxymethyl and 2-carboxyethyl substituents at positions 2, 3 and 4 respectively.
Glucoheptonic acid
A carbohydrate acid that is heptanoic acid substituted by hydroxy groups at C-2, C-3, C-4, C-5, C-6, and C-7.
4-FLUORO-10,11-DIHYDRO-DIBENZO[A,D]CYCLOHEPTEN-5-ONE
1,3-DI(2-PYRIDYL)-1,3-PROPANEDIONE
C13H10N2O2 (226.07422400000002)
ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[D]THIAZOLE-6-CARBOXYLATE
5H-Pyrido(4,3-b)indole-3-carboxylic acid, 1-methyl-
C13H10N2O2 (226.07422400000002)
1-METHYL-1 H-PYRAZOLE-3,5-DICARBOXYLIC ACID DIETHYL ESTER
(S)-1-Amino-3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one hydrochloride
C11H15ClN2O (226.08728499999998)
N-carbamoyl-5-methyl-2-oxo-3-prop-2-enyloxolane-3-carboxamide
1-[(6-Chloro-3-pyridinyl)methyl]-4-piperidinol
C11H15ClN2O (226.08728499999998)
6-(5-METHYL-2-OXO-2,3-DIHYDRO-1H-IMIDAZOL-4-YL)-6-OXO-HEXANOIC ACID
2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-butyric acid
4-tert-butoxycarbonylamino-1-methyl-1h-pyrrole-2-carboxylic acid
Methyl 9H-β-carboline-4-carboxylate
C13H10N2O2 (226.07422400000002)
2-CHLORO-N-[4-(DIMETHYLAMINO)BENZYL]ACETAMIDE
C11H15ClN2O (226.08728499999998)
TERT-BUTYL1-METHYL-4-NITRO-1H-PYRROLE-2-CARBOXYLATE
3-(4,6-DIMETHOXYPYRIMIDIN-2-YL)PROPANOIC ACID METHYL ESTER
3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
C11H15ClN2O (226.08728499999998)
Chloro(dimethyl)(4-phenylbutyl)silane
C12H19ClSi (226.09444839999998)
dl-(2-amino-2-carboxyethyl)-homocysteine-3,3,4,4-d4
2-(Indenylamino)acetamide Hydrochloride Salt
C11H15ClN2O (226.08728499999998)
3-Amino-4-chloro-N-isobutylbenzamide
C11H15ClN2O (226.08728499999998)
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-1-(3-methylphenyl)-
2-Pyrimidinamine, 4-chloro-N-(4-piperidinylmethyl)-
C10H15ClN4 (226.09851799999998)
2-Propyl-1H-Imidazole-4,5-Dicarboxylic Acid Dimethyl Ester
1-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
C13H10N2O2 (226.07422400000002)
1H-IMIDAZOLE, 2-(4-METHYLPHENYL)-5-(TRIFLUOROMETHYL)-
Methanesulfonamide, N-[4-(1-aminocyclopropyl)phenyl]
ethyl 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
3-Cyano-4,6-dihydroxy-2-methyl-5-phenylpyridine
C13H10N2O2 (226.07422400000002)
Benzeneacetic acid,4-(chloromethyl)-a-methyl-,ethyl ester
(1R)-1-Amino-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one hy drochloride (1:1)
C11H15ClN2O (226.08728499999998)
4,4,4-TRIFLUORO-2-PROPYL-3-OXOBUTYRIC ACID ETHYL ESTER
1-Benzylpiperazin-2-One Hydrochloride
C11H15ClN2O (226.08728499999998)
1H-Pyrazolo[3,4-d]pyrimidine,4-hydrazinyl-1-phenyl-
1-Benzoylpiperazine monohydrochloride
C11H15ClN2O (226.08728499999998)
4-[(4-methoxyphenyl)amino]benzenediazonium
C13H12N3O+ (226.09803219999998)
ethyl 2-hydroxy-2-(trifluoromethyl)-4-methylpent-4-enoate 97
ethyl 2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
6-methoxytryptamine hydrochloride
C11H15ClN2O (226.08728499999998)
Proxibarbal
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
2-(5-Methoxy-1H-indol-3-yl)ethanamine hydrochloride
C11H15ClN2O (226.08728499999998)
1-(4-chloro-2-methoxyphenyl)piperazine
C11H15ClN2O (226.08728499999998)
Benzoic acid,3,4,5-trihydroxy-, 2-methylpropyl ester
3,5-Difluorobenzeneboronic acid neopentyl glycol cyclic ester
C11H13BF2O2 (226.09766120000003)
1-(2-Chloro-5-Methyl-pyriMidin-4-yl)-[1,4]diazepane
C10H15ClN4 (226.09851799999998)
2-AMino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester
M,p-ETHYLPHENETHYLDIMETHYLCHLOROSILANE, tech-95
C12H19ClSi (226.09444839999998)
1-acetyl-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
C13H10N2O2 (226.07422400000002)
2-(7-methoxy-1H-indol-3-yl)ethanamine,hydrochloride
C11H15ClN2O (226.08728499999998)
5-Methyl-4-(morpholin-4-ylmethyl)isoxazole-3-carboxylic acid
4-AMino-1-benzylpyrrolidin-2-one Hydrochloride
C11H15ClN2O (226.08728499999998)
Piperazine, 1-(2-chloro-3-methoxyphenyl)-
C11H15ClN2O (226.08728499999998)
1-Methyl-2-phenyl-4-(trifluoromethyl)-1H-imidazole
1,3-Dipyridin-3-ylpropane-1,3-dione
C13H10N2O2 (226.07422400000002)
N-(5-acetyl-4-methyl-2-thiazolyl)-2-methylpropanamide
2-[(E)-2-(4-nitrophenyl)vinyl]pyridine
C13H10N2O2 (226.07422400000002)
2-[(E)-2-(2-nitrophenyl)vinyl]pyridine
C13H10N2O2 (226.07422400000002)
Silane, trimethyl[2-(phenylthio)ethoxy]-
C11H18OSSi (226.08475779999998)
Trimethyl(2-phenoxyethylsulfanyl)silane
C11H18OSSi (226.08475779999998)
2-(Methylamino)benzo[de]isoquinoline-1,3-dione
C13H10N2O2 (226.07422400000002)
3-Deoxythymidine
D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides
6-Methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
Ethyl 2-[2-(4-fluorophenyl)hydrazinyl]-2-oxoacetate
methyl 4-carbamoyl-N-cyanopiperidine-1-carboximidothioate
C9H14N4OS (226.08882739999999)
chaetoglocin B
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a (2Z)-1-hydroxybut-2-en-2-yl group at position 6, a hydroxymethyl group at position 5 and a methoxy group at position 4. It has been isolated from the solid-fermentation culture of Chaetomium globosum and has been shown to exhibit antibacterial activity.
chaetoglocin A
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a (2E)-1-hydroxybut-2-en-2-yl group at position 6, a hydroxymethyl group at position 5 and a methoxy group at position 4. It has been isolated from the solid-fermentation culture of Chaetomium globosum and has been shown to exhibit antibacterial activity.
5-fluoro-2H-spiro[benzofuran-3,7-bicyclo[4.2.0]octa-1,3,5-triene]
4-(4-Carbamoylpiperidin-1-yl)-4-oxobut-2-enoic acid
hydron;(2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol
C9H12N3O4+ (226.08277719999998)
2-Amino-4-nitrophenol, TMS derivative
C9H14N2O3Si (226.07736540000002)
4,8-Dihydroxy-3,7,8-trimethyl-5,7-dihydropyrano[4,3-b]pyran-2-one
(1S)-1,4aalpha,5,7aalpha-Tetrahydro-1beta-hydroxy-7-hydroxymethylcyclopenta[c]pyran-4-carboxylic acid methyl ester
(E)-3-Cyanomethylene-1-para-tolyl-2,5-pyrrolidinedione
C13H10N2O2 (226.07422400000002)
(10aS)-10,10a-dihydrophenazine-1-carboxylic acid
C13H10N2O2 (226.07422400000002)
L-arogenate(1-)
Conjugate base of L-arogenic acid arising from deprotonation of the two carboxy groups and protonation of the amino group; major species at pH 7.3.
B-CARBOLINE-3-CARBOXYLIC ACID METHYLESTE R
C13H10N2O2 (226.07422400000002)
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants
3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D065105 - Aromatic Amino Acid Decarboxylase Inhibitors D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents
Methyl 1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
1-hydroxy-6-methoxyphenazine
C13H10N2O2 (226.07422400000002)
A member of the class of phenazines that is phenazine substituted by a hydroxy group at position 1 and a methoxy groups at position 6. It is a bacterial metabolite found in Streptomyces thioluteus and exhibits weak antibacterial activity.
3,4-dimethyl-5-carboxymethyl-2-furanpropanoic acid
5-(hydroxymethyl)-6-(3-hydroxyprop-1-en-1-yl)-4-methoxy-3-methylpyran-2-one
methyl (3r,7r,9s)-9-methyl-2,4,10-trioxatricyclo[5.3.1.0³,⁸]undec-5-ene-6-carboxylate
5,6-dihydroxy-9,9-dimethyl-3,8-dioxatricyclo[5.4.0.0²,⁴]undec-1(7)-en-11-one
4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]decane-1,7-dione
4-methoxy-9h-pyrido[3,4-b]indole-1-carbaldehyde
C13H10N2O2 (226.07422400000002)
5-(1-hydroxy-2-oxobutyl)-4-methoxy-6-methylpyran-2-one
3-(7-methoxy-2h-1,3-benzodioxol-5-yl)propane-1,2-diol
(1s,6s)-9-ethyl-7,10-dihydroxy-2,11-dioxatricyclo[4.4.1.0¹,⁶]undec-3-en-5-one
(7r,8s)-7-hydroxy-4-methoxy-7,8-dimethyl-5h,8h-pyrano[3,2-c]pyran-2-one
4-(4-methoxy-2-methyl-6-oxopyran-3-yl)butanoic acid
1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]ethanone
(2s,4r,5s,6s)-5,6-dihydroxy-9,9-dimethyl-3,8-dioxatricyclo[5.4.0.0²,⁴]undec-1(7)-en-11-one
(2s,4r,5r,6r)-5,6-dihydroxy-9,9-dimethyl-3,8-dioxatricyclo[5.4.0.0²,⁴]undec-1(7)-en-11-one
5-[(3s)-3-hydroxy-2-oxobutyl]-4-methoxy-6-methylpyran-2-one
6-[(1e)-3,4-dihydroxypent-1-en-1-yl]-4-methoxypyran-2-one
(2s)-2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
(2s)-3-(7-methoxy-2h-1,3-benzodioxol-5-yl)propane-1,2-diol
9,10-dihydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.0¹,⁵]undecan-2-one
arenarine d
C13H10N2O2 (226.07422400000002)
{"Ingredient_id": "HBIN016706","Ingredient_name": "arenarine d","Alias": "NA","Ingredient_formula": "C13H10N2O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1662","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
β-carboline-1-carboxylicacid, methyl ester
C13H10N2O2 (226.07422400000002)
{"Ingredient_id": "HBIN018004","Ingredient_name": "\u03b2-carboline-1-carboxylicacid, methyl ester","Alias": "NA","Ingredient_formula": "C13H10N2O2","Ingredient_Smile": "COC(=O)C1=NC=CC2=C1NC3=CC=CC=C23","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3158","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
methyl 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propanoate
(3r,4s)-6-methoxy-3-methyl-3,4-dihydro-1h-2-benzopyran-4,7,8-triol
6-[(3r)-3-hydroxybut-1-en-2-yl]-5-(hydroxymethyl)-4-methoxypyran-2-one
(4s,5r,6r,10r)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]decane-1,7-dione
(1r,2r,5s,6s,8s,11s)-5,11-dihydroxy-2,8-dimethyl-7,9-dioxatricyclo[6.2.1.0¹,⁶]undec-3-en-10-one
1-(3,4-dihydroxy-3-methylbut-1-yn-1-yl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
(4s,5s,6r,9s,10r)-4,9,10-trihydroxy-6-methyl-3-methylidene-2-oxaspiro[4.5]dec-7-en-1-one
methyl (1r,3r,7s,8s,9s)-9-methyl-2,4,10-trioxatricyclo[5.3.1.0³,⁸]undec-5-ene-6-carboxylate
methyl (4s,7s,11s)-4-hydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-ene-8-carboxylate
5-(hydroxymethyl)-6-[(1e)-3-hydroxyprop-1-en-1-yl]-4-methoxy-3-methylpyran-2-one
1-{7-hydroxy-9h-pyrido[3,4-b]indol-1-yl}ethanone
C13H10N2O2 (226.07422400000002)
methyl 4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoate
(1s,3r,7s,9r)-7-hydroxy-6-methoxy-3,9-dimethyl-2,8-dioxatricyclo[5.3.0.0¹,³]dec-5-en-4-one
(1s,2s,5s,6r)-1-[(3s)-3-hydroxy-4-methoxybut-1-yn-1-yl]-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
5-[(3s)-3-hydroxybutanoyl]-4-methoxy-6-methylpyran-2-one
ethyl (2r)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
5-(3-hydroxy-2-oxobutyl)-4-methoxy-6-methylpyran-2-one
methyl (3r)-3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate
3,5-bis(hydroxymethyl)-4-methoxy-6-[(1e)-prop-1-en-1-yl]pyran-2-one
4-hydroxy-3,5-dimethoxy-4-(2-oxopropyl)cyclohexa-2,5-dien-1-one
4,9,10-trihydroxy-6-methyl-3-methylidene-2-oxaspiro[4.5]dec-7-en-1-one
3-hydroxy-1-(2-hydroxy-4,5-dimethoxyphenyl)propan-1-one
1-(3-acetyl-5-methoxyfuran-2-yl)-3-hydroxybutan-1-one
(1r,2r)-1-(7-methoxy-2h-1,3-benzodioxol-5-yl)propane-1,2-diol
3,5-bis(hydroxymethyl)-4-methoxy-6-(prop-1-en-1-yl)pyran-2-one
methyl (3s)-3-(3,4-dihydroxyphenyl)-3-methoxypropanoate
1-{3-hydroxy-9h-pyrido[3,4-b]indol-1-yl}ethanone
C13H10N2O2 (226.07422400000002)
methyl (1r,4r,7r,8s,11s)-4-hydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-ene-8-carboxylate
5,11-dihydroxy-2,8-dimethyl-7,9-dioxatricyclo[6.2.1.0¹,⁶]undec-3-en-10-one
3,4-dihydroxy-7-methyl-2-(prop-1-en-1-yl)-2h,3h,4h,7h-furo[3,4-b]pyran-5-one
1-(4-hydroxy-5-methyl-6-oxopyran-2-yl)propan-2-yl acetate
(3s,4s,5r,6r,10s)-4,6-dihydroxy-3,10-dimethyl-2-oxaspiro[4.5]dec-8-ene-1,7-dione
4,6-dihydroxy-3,10-dimethyl-2-oxaspiro[4.5]dec-8-ene-1,7-dione
(3e,4s,5r)-4-hydroxy-3-[(2e)-4-hydroxybut-2-en-1-ylidene]-5-[(1e)-3-hydroxyprop-1-en-1-yl]oxolan-2-one
methyl 3-(3,4-dihydroxyphenyl)-3-methoxypropanoate
5-[(3r)-3-hydroxybutanoyl]-4-methoxy-6-methylpyran-2-one
methyl (1r,4as,7ar)-1-hydroxy-7-(hydroxymethyl)-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate
4-hydroxy-1-[(2r,5s)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
(4r,5r,6r,9s,10s)-4,9,10-trihydroxy-6-methyl-3-methylidene-2-oxaspiro[4.5]dec-7-en-1-one
7-hydroxy-4-methoxy-7,8-dimethyl-9-methylidene-1,6-dioxaspiro[4.4]non-3-en-2-one
(1s,2s,5s,6r)-1-(3,4-dihydroxy-3-methylbut-1-yn-1-yl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
(8as)-7-hydroxy-5-methoxy-3,8a-dimethyl-2h,3h-pyrano[2,3-b]pyran-4-one
9-ethyl-7,10-dihydroxy-2,11-dioxatricyclo[4.4.1.0¹,⁶]undec-3-en-5-one
6-[(2e)-4-hydroxybut-2-en-2-yl]-5-(hydroxymethyl)-4-methoxypyran-2-one
(2r)-1-(4-hydroxy-5-methyl-6-oxopyran-2-yl)propan-2-yl acetate
5-hydroxy-4-methoxy-7,8-dimethyl-5h,7h,8h-pyrano[3,2-c]pyran-2-one
(5s,7r,8s)-7-hydroxy-4-methoxy-7,8-dimethyl-9-methylidene-1,6-dioxaspiro[4.4]non-3-en-2-one
7-hydroxy-6-methoxy-3,9-dimethyl-2,8-dioxatricyclo[5.3.0.0¹,³]dec-5-en-4-one
methyl 9-methyl-2,4,10-trioxatricyclo[5.3.1.0³,⁸]undec-5-ene-6-carboxylate
(1s,2s,5s,6r)-1-[(3r)-3-hydroxy-4-methoxybut-1-yn-1-yl]-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
1-(3-hydroxy-4-methoxybut-1-yn-1-yl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
(4r,5r,6r,10r)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]decane-1,7-dione
methyl (2s)-3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propanoate
(3z,4s,5r)-4-hydroxy-3-[(2e)-4-hydroxybut-2-en-1-ylidene]-5-[(1e)-3-hydroxyprop-1-en-1-yl]oxolan-2-one
(1s,5s,7r,9s,10r,11s)-9,10-dihydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.0¹,⁵]undecan-2-one
1-methyl-9h-pyrido[3,4-b]indole-3-carboxylic acid
C13H10N2O2 (226.07422400000002)