Exact Mass: 226.0754
Exact Mass Matches: 226.0754
Found 345 metabolites which its exact mass value is equals to given mass value 226.0754
,
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
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.
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
beta-CCM
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants
(2S)-1-(6-Chloro-5-fluoroindol-1-yl)propan-2-amine
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].
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
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-(2,3,5-Trimethoxyphenyl)acetic acid
2-(2,3,5-Trimethoxyphenyl)acetic acid has been reported in Piper retrofractum
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
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
ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[D]THIAZOLE-6-CARBOXYLATE
5H-Pyrido(4,3-b)indole-3-carboxylic acid, 1-methyl-
2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-butyric acid
1H-IMIDAZOLE, 2-(4-METHYLPHENYL)-5-(TRIFLUOROMETHYL)-
Ethene sulfonicacid,2-(2,4,6-trimethylphenyl)-(9CI)
Methanesulfonamide, N-[4-(1-aminocyclopropyl)phenyl]
ethyl 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
Benzeneacetic acid,4-(chloromethyl)-a-methyl-,ethyl ester
4,4,4-TRIFLUORO-2-PROPYL-3-OXOBUTYRIC ACID ETHYL ESTER
ethyl 2-hydroxy-2-(trifluoromethyl)-4-methylpent-4-enoate 97
ethyl 2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Benzoic acid,3,4,5-trihydroxy-, 2-methylpropyl ester
2-AMino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester
1-Methyl-2-phenyl-4-(trifluoromethyl)-1H-imidazole
(S)-2-(6-Chloro-5-fluoro-indol-1-yl)-1-methyl-ethylamine
Ro60-0175 is a potent and selective agonist of 5-HT2C receptor. Ro60-0175 reduces self-administration[1].
N-(5-acetyl-4-methyl-2-thiazolyl)-2-methylpropanamide
4H-Furo[3,2-c]pyran-2(6H)-one, 4-[(trimethylsilyl)oxy]-
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
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
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
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
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
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
{"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
{"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"}