Exact Mass: 226.0655
Exact Mass Matches: 226.0655
Found 500 metabolites which its exact mass value is equals to given mass value 226.0655,
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].
Chorismate
Chorismic acid, more commonly known as its anionic form chorismate, is an important biochemical intermediate in plants and microorganisms. It is a precursor for the aromatic amino acids phenylalanine and tyrosine,indole, indole derivatives and tryptophan,2,3-dihydroxybenzoic acid (DHB) used for enterobactin biosynthesis,the plant hormone salicylic acid and many alkaloids and other aromatic metabolites. -- Wikipedia [HMDB]. Chorismate is found in many foods, some of which are pigeon pea, ucuhuba, beech nut, and fireweed. Chorismic acid, more commonly known as its anionic form chorismate, is an important biochemical intermediate in plants and microorganisms. It is a precursor for the aromatic amino acids phenylalanine and tyrosine,indole, indole derivatives and tryptophan,2,3-dihydroxybenzoic acid (DHB) used for enterobactin biosynthesis,the plant hormone salicylic acid and many alkaloids and other aromatic metabolites. -- Wikipedia. CONFIDENCE standard compound; INTERNAL_ID 114
isochorismate
Isochorismate, also known as isochorismic acid, belongs to beta hydroxy acids and derivatives class of compounds. Those are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Isochorismate is soluble (in water) and a weakly acidic compound (based on its pKa). Isochorismate can be found in a number of food items such as cucurbita (gourd), cherry tomato, chinese chestnut, and chinese water chestnut, which makes isochorismate a potential biomarker for the consumption of these food products. Isochorismate may be a unique E.coli metabolite.
Prephenate
Prephenate (CAS: 126-49-8), also known as prephenic acid, belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom. Prephenic acid is an example of an achiral (optically inactive) molecule which has two pseudoasymmetric atoms (i.e. stereogenic but not chirotopic centers): the C1 and the C4 cyclohexadiene ring atoms. Prephenate exists in all living species, ranging from bacteria to humans. Prephenate has been detected, but not quantified, in several different foods, such as American pokeweeds, breadnut tree seeds, common wheats, swiss chards, and breadfruits. The other stereoisomer, i.e. trans or, better, (1r, 4r), is called epiprephenic acid. It has been shown that of the two possible diastereoisomers, the natural prephenic acid is one that has both substituents at higher priority (according to CIP rules) on the two pseudoasymmetric carbons, i.e. the carboxyl and the hydroxyl groups, in the cis configuration, or (1s, 4s) according to the new IUPAC stereochemistry rules (2013). It is biosynthesized by a [3,3]-sigmatropic Claisen rearrangement of chorismate. Prephenic acid, commonly also known by its anionic form prephenate, is an intermediate in the biosynthesis of the aromatic amino acids phenylalanine and tyrosine, as well as of a large number of secondary metabolites of the shikimate pathway. Prephenic acid, more commonly known by its anionic form prephenate, is an intermediate in the biosynthesis of the aromatic amino acids phenylalanine and tyrosine. [HMDB]. Prephenate is found in many foods, some of which are alaska wild rhubarb, chinese chestnut, kai-lan, and globe artichoke.
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.
Nitro-Tyrosine
3-Nitrotyrosine, also known as nitrotyrosine is a product of tyrosine nitration mediated by reactive nitrogen species such as peroxynitrite anion and nitrogen dioxide. Nitrotyrosine is identified as an indicator or marker of cell damage, inflammation as well as NO (nitric oxide) production. Nitrotyrosine is formed in the presence of the active metabolite NO. Nitrotyrosine belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 3-Nitrotyrosine (NTyr) is formed in vivo in tissue or blood proteins after exposure to nitrosating and/or nitrating agents such as tetranitromethane. (PMID 8319651)
2-Methoxyxanthone
Constituent of Hypericum subspecies and Mammea americana (mamey). 2-Methoxyxanthone is found in herbs and spices and fruits. 2-Methoxyxanthone is found in fruits. 2-Methoxyxanthone is a constituent of Hypericum species and Mammea americana (mamey).
4,5-Dimethoxy-1,2-benzenedicarboxylic acid
4,5-Dimethoxy-1,2-benzenedicarboxylic acid is a degradation product produced of many alkaloids. It is isolated from poppy straw (Papaver somniferum). Degradation production of many alkaloids. Isolated from poppy straw (Papaver somniferum).
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-Dimethoxy-1,2-benzenedicarboxylic acid
3,4-Dimethoxy-1,2-benzenedicarboxylic acid is isolated from poppy straw (Papaver somniferum). Isolated from poppy straw (Papaver somniferum).
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)
Oroselone
Constituent of Angelica archangelica (angelica). Oroselone is found in fats and oils, herbs and spices, and green vegetables. Oroselone is found in fats and oils. Oroselone is a constituent of Angelica archangelica (angelica).
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
5H-Indazole-5,5-dicarboxylicacid, 1,2,3,4,6,7-hexahydro-3-oxo-
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
Monochlorobimane
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
(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].
(S)-(5,6-dioxo-2,3,4,5,6,8-hexahydro-furo[3,4-b]oxepin-8-yl)-acetic acid|(S)-(5,6-Dioxo-2,3,4,5,6,8-hexahydro-furo[3,4-b]oxepin-8-yl)-essigsaeure
(S)-(-)-acromelobinic acid|(S)-form-alpha-Amino-6-carboxy-2-oxo-3-pyridinepropanoic acid|3-(6-carboxy-2-oxo-3-pyridyl)-L-alanine|L-3-(6-carboxy-2-oxo-3-pyridyl)alanine
3,8-Dimethyl-naphtho<2,3-b>furano-4,9-chinon|3,8-dimethyl-naphtho[2,3-b]furan-4,9-dione|Furonaphthochinon|Maturinon
Di-Me ester-4,5-Dihydroxy-1,3-benzenedicarboxylic acid
beta-(2-hydroxy-4-carboxy)phenyllactic acid|Thevefolic acid B
7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-methylethenyl)-
(-)-acromelobic acid|(S)-(-)-acromelobic acid|3-(6-carboxy-2-oxo-4-pyridyl)-L-alanine|L-3-(6-carboxy-2-oxo-4-pyridyl)alanine
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
2,4-Dihydroxy-6-(1-hydroxy-2-oxopropyl)benzoic acid
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].
2,2-Cyclouridine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053 2,2'-Anhydrouridine is used for anticancer and antiviral research[1].
4,8-dihydroxy-3,7,8-trimethyl-5,7-dihydropyrano[4,3-b]pyran-2-one
3-Nitrotyrosine
A nitrotyrosine comprising tyrosine having a nitro group at the 3-position on the phenyl ring.
3-nitro-L-tyrosine
A 3-nitrotyrosine comprising L-tyrosine having a nitro group at the 3-position on the phenyl ring. 3-Nitro-L-tyrosine is a biomarker of nitrogen free radical species modified proteins in systemic autoimmunogenic conditions.
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.
Nitrotyrosine
3-Nitro-L-tyrosine is a biomarker of nitrogen free radical species modified proteins in systemic autoimmunogenic conditions.
4-FLUORO-10,11-DIHYDRO-DIBENZO[A,D]CYCLOHEPTEN-5-ONE
ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[D]THIAZOLE-6-CARBOXYLATE
1,4-Benzenedicarboxylicacid, 2,3-dihydroxy-, 1,4-dimethyl ester
ethyl 2-(3-methyl-2,4,5-trioxo-cyclopentyl)-2-oxo-acetate
5H-Pyrido(4,3-b)indole-3-carboxylic acid, 1-methyl-
3-AMINO-3-(2-HYDROXY-5-NITRO-PHENYL)-PROPIONIC ACID
3-AMINO-3-(3-HYDROXY-4-NITRO-PHENYL)-PROPIONIC ACID
3-AMINO-3-(4-HYDROXY-3-NITRO-PHENYL)-PROPIONIC ACID
1-(4-(2-HYDROXYETHYL)PIPERAZIN-1-YL)ETHANONE HYDROCHLORIDE
2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-butyric acid
Benzoyl benzoate
Benzoyl benzoate, also known as benzoesaeureanhydrid or benzoic acid, anhydride, is a member of the class of compounds known as benzyloxycarbonyls. Benzyloxycarbonyls are organic compounds containing a carbonyl group substituted with a benzyloxyl group. Benzoyl benzoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Benzoyl benzoate can be synthesized from benzoic acid. Benzoyl benzoate can also be synthesized into benzoximate. Benzoyl benzoate can be found in wild celery, which makes benzoyl benzoate a potential biomarker for the consumption of this food product.
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
2-chloro-5,6,7,8-tetrahydro-[1,6]naphthyridine-3-carboxylic acid methyl ester
Acetic acid,2-chloro-2-(2-phenylhydrazinylidene)-, ethyl ester
Methyl 3-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
5-chloro-1,3-dihydro-1-(3-hydroxypropyl)-2H-benzimidazol-2-one
3-Nitro-d-tyrosine
A 3-nitrotyrosine comprising D-tyrosine having a nitro group at the 3-position on the phenyl ring.
ethyl 2-hydroxy-2-(trifluoromethyl)-4-methylpent-4-enoate 97
ethyl 2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
2-(2-AMINOETHYL)ISOINDOLINE-1,3-DIONE HYDROCHLORIDE
2-(4-FLUOROPHENYL)-PROPANEDIOIC ACID, 1,3-MDIETHYL ESTER
Benzoic acid,3,4,5-trihydroxy-, 2-methylpropyl ester
2-AMino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester
2-(1-AMINO-2,2,2-TRIFLUORO-ETHYL)-3,4-DIFLUORO-PHENYLAMINE
Ethyl imidazo[1,2-a]pyridine-7-carboxylate hydrochloride
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]-
(E,2E)-2-[carboxy(oxido)methylidene]-6-methyl-5-oxohept-3-enoate
Ethyl 2-[2-(4-fluorophenyl)hydrazinyl]-2-oxoacetate
2-Hydroxy-3-carboxylato-6-oxo-7-methylocta-2,4-dienoate
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.
8-Hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylate
Methyl 4-(4-hydroxy-5-methylidene-2-oxo-2,5-dihydrofuran-3-yl)-4-oxobutanoate
2-Nitrotyrosine
A non-proteinogenic alpha-amino acid that is tyrosine substituted by a nitro group at position 2.
cspyrone B1
An oxo monocarboxylic acid that is propionic acid carrying a 3-acetyl-4-hydroxy-2-oxo-2H-pyran-6-yl group at position 3; it is produced by the fungus Aspergillus oryzae
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
3-(2,4-Dihydroxy-5-methoxyphenyl)-2-oxopropanoic acid
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
Chorismic acid
The (3R,4R)-stereoisomer of 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid.
Prephenic acid
An oxo dicarboxylic acid that consists of 4-hydroxycyclohexa-2,5-diene-1-carboxylic acid substituted by a 2-carboxy-2-oxoethyl group at position 1.
Monochlorobimane
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
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.
agglomerin F
A butenolide that is the methyl ester of 4-(4-hydroxy-5-methylidene-2-oxo-2,5-dihydrofuran-3-yl)-4-oxobutanoic acid
3,4-dimethyl-5-carboxymethyl-2-furanpropanoic acid
4',5'-Didehydro-5'-deoxyuridine
4',5'-Didehydro-5'-deoxyuridine 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].
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
4-(2-amino-2-carboxyethyl)-6-hydroxypyridine-2-carboxylic acid
(2s,4r,5r,6r)-5,6-dihydroxy-9,9-dimethyl-3,8-dioxatricyclo[5.4.0.0²,⁴]undec-1(7)-en-11-one
3,4,6,8-tetrahydroxy-3-methyl-4h-2-benzopyran-1-one
5-[(2s)-2-amino-2-carboxyethyl]-6-hydroxypyridine-2-carboxylic acid
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
5-[(1-carboxyeth-1-en-1-yl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
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"}
