Exact Mass: 226.078246
Exact Mass Matches: 226.078246
Found 250 metabolites which its exact mass value is equals to given mass value 226.078246,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 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].
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)
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).
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]
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
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)
2-[2-(3-nitrophenyl)ethenyl]pyridine
C13H10N2O2 (226.07422400000002)
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
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
(2,3,5-trimethoxy-phenyl)-acetic acid|(2,3,5-Trimethoxy-phenyl)-essigsaeure|2,3,5-trimethoxyphenylacetic acid
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.
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].
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].
4,8-dihydroxy-3,7,8-trimethyl-5,7-dihydropyrano[4,3-b]pyran-2-one
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)
(S)-1-Amino-3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one hydrochloride
C11H15ClN2O (226.08728499999998)
1-[(6-Chloro-3-pyridinyl)methyl]-4-piperidinol
C11H15ClN2O (226.08728499999998)
2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-butyric acid
Methyl 9H-β-carboline-4-carboxylate
C13H10N2O2 (226.07422400000002)
2-CHLORO-N-[4-(DIMETHYLAMINO)BENZYL]ACETAMIDE
C11H15ClN2O (226.08728499999998)
3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
C11H15ClN2O (226.08728499999998)
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)-
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)
1-Benzoylpiperazine monohydrochloride
C11H15ClN2O (226.08728499999998)
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)
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
2-AMino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester
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)
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)
6-Methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
Ethyl 2-[2-(4-fluorophenyl)hydrazinyl]-2-oxoacetate
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]
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
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.