Exact Mass: 226.0509016
Exact Mass Matches: 226.0509016
Found 500 metabolites which its exact mass value is equals to given mass value 226.0509016,
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.
anthralin
D - Dermatologicals > D05 - Antipsoriatics > D05A - Antipsoriatics for topical use > D05AC - Antracen derivatives C78284 - Agent Affecting Integumentary System > C29708 - Anti-psoriatic Agent D003879 - Dermatologic Agents
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)
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).
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).
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).
5H-Indazole-5,5-dicarboxylicacid, 1,2,3,4,6,7-hexahydro-3-oxo-
7-Methyl-2-(2-furyl)-1,8-naphthyridine-4(1H)-one
C13H10N2O2 (226.07422400000002)
Alclofenac
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
beta-CCM
C13H10N2O2 (226.07422400000002)
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
C11H12ClFN2 (226.06729939999997)
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.
1-Methoxycarbonyl-beta-carboline
C13H10N2O2 (226.07422400000002)
alclofenac
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
2-[2-(3-nitrophenyl)ethenyl]pyridine
C13H10N2O2 (226.07422400000002)
1-Acetyl-7-hydroxy-beta-carboline|Arenarine D
C13H10N2O2 (226.07422400000002)
(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
(E)-8-(Methylsulfinyl)-1,7-tridecadiene-3,5,9,11-tetrayne|(E)-8-methanesulfinyl-trideca-1,7-diene-3,5,9,11-tetrayne|cis-8-Methylsulfinyl-tridecadien-(1.7)-tetrain-(3.5.9.11)
(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
(E)-7-methanesulfinyl-trideca-1,7-diene-3,5,9,11-tetrayne|7-cis-Methylsulfinyl-1,7-tridecadien-3,5,9,11-tetrain
1-Methyl-9H-beta-carboline-3-carboxylic acid
C13H10N2O2 (226.07422400000002)
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
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
2,4-Dihydroxy-6-(1-hydroxy-2-oxopropyl)benzoic acid
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.
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].
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.
2-[[(Guanidino) (imino)methyl]sulfanyl]ethanesulfonic Acid
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.
5-(2,4-Dimethylthiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxirane
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
1,4-Benzenedicarboxylicacid, 2,3-dihydroxy-, 1,4-dimethyl ester
ethyl 2-(3-methyl-2,4,5-trioxo-cyclopentyl)-2-oxo-acetate
2-[(4-CHLORO-PHENYL)-HYDROXY-METHYL]-ACRYLIC ACID METHYL ESTER
5H-Pyrido(4,3-b)indole-3-carboxylic acid, 1-methyl-
C13H10N2O2 (226.07422400000002)
3,5-DINITRO-4-METHYLBENZENEBORONIC ACID
C7H7BN2O6 (226.03971520000002)
2,4-Dimethyl-2H-1,2,4-benzothiadiazin-3(4H)-on-1,1-dioxide
potassium 4-acetylphenyltrifluoroborate&
C8H7BF3KO (226.01790979999998)
6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
Ethyl 7-chloro-2,3-dihydrobenzofuran-2-carboxylate
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
Methyl 9H-β-carboline-4-carboxylate
C13H10N2O2 (226.07422400000002)
N-(2-Chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
(3,5-DINITRO-2-METHYLPHENYL)BORONIC ACID
C7H7BN2O6 (226.03971520000002)
ETHYL 5-OXO-3,5-DIHYDRO-2H-THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE
4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-en-1-ol
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.
1-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
C13H10N2O2 (226.07422400000002)
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
4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-one
3-Cyano-4,6-dihydroxy-2-methyl-5-phenylpyridine
C13H10N2O2 (226.07422400000002)
Benzeneacetic acid,4-(chloromethyl)-a-methyl-,ethyl ester
2-MERCAPTO-3,5,6-TRIMETHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Butanedioic acid, oxo-, diethyl ester, ion(1-), potassium
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
3-OXO-2-(THIOPHENE-2-CARBONYL)BUTYRICACIDMETHYLESTER
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
N,N-Dihydroxy-1,2,3,4-cyclobutanetetracarboxdiimide
o-5,6,7,8-Tetrahydro-2-naphtylthiochloroformate
C11H11ClOS (226.02191059999998)
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
methyl 5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylate
Dihydro-1H,3H,5H-pyrrolo[1,2-a]thiazolo[3,4-d]pyrazine-5,8,10(5aH,10aH)-trione
(E)-methyl 3-(3,5-difluoro-4-formylphenyl)acrylate
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
1-acetyl-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
C13H10N2O2 (226.07422400000002)
4-((E)-2-[(2-HYDROXYETHYL)SULFANYL]DIAZENYL)BENZENECARBOXYLIC ACID
ethyl 5-chloro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate
4,6-DIMETHOXY-PYRIDIN-3-YLAMINE DIHYDROCHLORIDE
C7H12Cl2N2O2 (226.02757920000002)
(3,4-Difluoro-5-(trifluoromethyl)phenyl)boronic acid
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
C11H12ClFN2 (226.06729939999997)
Ro60-0175 is a potent and selective agonist of 5-HT2C receptor. Ro60-0175 reduces self-administration[1].
1,3-Dipyridin-3-ylpropane-1,3-dione
C13H10N2O2 (226.07422400000002)
N-(5-acetyl-4-methyl-2-thiazolyl)-2-methylpropanamide
2-{[(2-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
2-[(E)-2-(4-nitrophenyl)vinyl]pyridine
C13H10N2O2 (226.07422400000002)
2-[(E)-2-(2-nitrophenyl)vinyl]pyridine
C13H10N2O2 (226.07422400000002)
4H-Furo[3,2-c]pyran-2(6H)-one, 4-[(trimethylsilyl)oxy]-
C10H14O4Si (226.06613240000001)
2-(Methylsulfanyl)-5-(Thiophen-2-Ylmethyl)-1h-Imidazol-4-Ol
2-(Methylamino)benzo[de]isoquinoline-1,3-dione
C13H10N2O2 (226.07422400000002)
(E,2E)-2-[carboxy(oxido)methylidene]-6-methyl-5-oxohept-3-enoate
C10H10O6-2 (226.04773600000001)
4-(2-Azaniumyl-2-carboxylatoethyl)-6-oxopyran-2-carboxylate
5-[(2S)-2-azaniumyl-2-carboxylatoethyl]-6-oxopyran-2-carboxylate
Ethyl 2-[2-(4-fluorophenyl)hydrazinyl]-2-oxoacetate
2-Hydroxy-3-carboxylato-6-oxo-7-methylocta-2,4-dienoate
C10H10O6-2 (226.04773600000001)
8-Hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylate
C10H10O6-2 (226.04773600000001)
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]
(Z,2Z)-4-amino-2-[amino(methylsulfanyl)methylidene]-3-isocyano-4-methylsulfanylbut-3-enenitrile
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)
3-(2,4-Dihydroxy-5-methoxyphenyl)-2-oxopropanoic acid
2-[[(Guanidino)(imino)methyl]sulfanyl]ethanesulfonic Acid
2-Amino-4-nitrophenol, TMS derivative
C9H14N2O3Si (226.07736540000002)
Benzenecarbodithioic acid, TMS derivative
C10H14S2Si (226.03061639999999)
(E)-3-Cyanomethylene-1-para-tolyl-2,5-pyrrolidinedione
C13H10N2O2 (226.07422400000002)
2-Normal-propylthio-5-aminothiazolo(5,4-D)pyrimidine
anthralin
D - Dermatologicals > D05 - Antipsoriatics > D05A - Antipsoriatics for topical use > D05AC - Antracen derivatives C78284 - Agent Affecting Integumentary System > C29708 - Anti-psoriatic Agent D003879 - Dermatologic Agents
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.
(10aS)-10,10a-dihydrophenazine-1-carboxylic acid
C13H10N2O2 (226.07422400000002)
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
C13H10N2O2 (226.07422400000002)
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants
1-(6-Chloro-5-fluoro-1-indolyl)-2-propanamine
C11H12ClFN2 (226.06729939999997)
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.
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
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].
4-methoxy-9h-pyrido[3,4-b]indole-1-carbaldehyde
C13H10N2O2 (226.07422400000002)
(7e)-8-[(r)-methanesulfinyl]trideca-1,7-dien-3,5,9,11-tetrayne
4-(2-amino-2-carboxyethyl)-6-hydroxypyridine-2-carboxylic acid
3,4,6,8-tetrahydroxy-3-methyl-4h-2-benzopyran-1-one
5-[(2s)-2-amino-2-carboxyethyl]-6-hydroxypyridine-2-carboxylic acid
5-[(1-carboxyeth-1-en-1-yl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
arenarine d
C13H10N2O2 (226.07422400000002)
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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"}
(7z)-7-[(r)-methanesulfinyl]trideca-1,7-dien-3,5,9,11-tetrayne
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
4,5,6-trihydroxy-3-methoxy-7-methyl-3h-2-benzofuran-1-one
1-{2,4-dihydroxy-5-methyl-3-[(methylsulfanyl)methyl]phenyl}ethanone
5,6,7-trihydroxy-3-methoxy-4-methyl-3h-2-benzofuran-1-one
(2,4-dihydroxy-3,5,6-trimethylphenyl)(methylsulfanyl)methanone
1-{3-hydroxy-9h-pyrido[3,4-b]indol-1-yl}ethanone
C13H10N2O2 (226.07422400000002)
8-chloro-6-hydroxy-2,2-dimethyl-3h-1-benzopyran-4-one
7-methanesulfinyltrideca-1,7-dien-3,5,9,11-tetrayne
8-methanesulfinyltrideca-1,7-dien-3,5,9,11-tetrayne
[(z,5's)-2',4'-dioxo-4,5-dihydro-3h,5'h-[2,3'-bioxolyliden]-5'-yl]acetic acid
5-(2-amino-2-carboxyethyl)-6-hydroxypyridine-2-carboxylic acid
1-methyl-9h-pyrido[3,4-b]indole-3-carboxylic acid
C13H10N2O2 (226.07422400000002)