Exact Mass: 262.0874898
Exact Mass Matches: 262.0874898
Found 500 metabolites which its exact mass value is equals to given mass value 262.0874898,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
1,6-Dimethoxypyrene
This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
Carbadox
Carbadox is found in animal foods. Animal growth promoter especially for pigs. Banned in the EU. Carbadox is a permitted in USA subject to a 45-day withdrawal period (2001) Carbadox is a drug that combats parasite infection. In early 2004 it was banned by the Canadian government as a livestock feed additive and for human consumption. The European Union also forbids the use of Carbadox at any level. It is approved in the United States for use in swine for up to 42 days before slaughter Animal growth promoter especies for pigs. Banned in the EU. Permitted in USA subject to a 45-day withdrawal period (2001) [DFC] D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens D000890 - Anti-Infective Agents
Aspartyl-Glutamate
Aspartyl-Glutamate is a dipeptide composed of aspartate and glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
L-beta-aspartyl-L-glutamic acid
L-beta-aspartyl-l-glutamic acid is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha Amino Acids and Derivatives. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB]
9-HYDROXY-8-(2-HYDROXYPROPAN-2-YL)-2H,8H,9H-FURO[2,3-H]CHROMEN-2-ONE
6-(2-hydroxy-3-oxobutyl)-7-methoxy-2H-chromen-2-one
gamma-Glutamylaspartic acid
gamma-Glutamylaspartic acid is a dipeptide composed of gamma-glutamate and aspartic acid, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylaspartic acid is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. gamma-Glutamylaspartic acid is found in pulses. It is a constituent of the seeds of Vigna radiata (mung bean) and Vicia faba.
(S)-Rutaretin
(S)-Rutaretin is found in green vegetables. (S)-Rutaretin is isolated from seeds of Apium graveolens and Ruta graveolens (rue
Celereoin
Constituent of Apium graveolens. Celereoin is found in wild celery and green vegetables. Celereoin is found in green vegetables. Celereoin is a constituent of Apium graveolens.
Dorsteniol
Dorsteniol is found in green vegetables. Dorsteniol is a constituent of Apium graveolens. Constituent of Apium graveolens. Dorsteniol is found in green vegetables.
3-hydroxy-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one
Glutamylaspartic acid
Glutamylaspartic acid is a dipeptide composed of glutamate and aspartic acid, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylaspartic acid is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. Glutamylaspartic acid is found in pulses and soybean.
6-(1-hydroxy-3-oxobutyl)-7-methoxy-2H-chromen-2-one
Hydroxyprolyl-Methionine
Hydroxyprolyl-Methionine is a dipeptide composed of hydroxyproline and methionine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Methionylhydroxyproline
Methionylhydroxyproline is a dipeptide composed of methionine and hydroxyproline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
L-cis-Cyclo(aspartylphenylalanyl)
L-cis-Cyclo(aspartylphenylalanyl) is a degradation product product of Aspartame. L-cis-Cyclo(aspartylphenylalanyl) is a constituent of roasted cocoa nibs [CCD
N-Acetyl-serylaspartic acid
N-Acetyl-serylaspartic acid, also known as N-acetyl-serylaspartate, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. N-Acetyl-serylaspartic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).
Indigo
Indigo (indigo dye or indigotin) is an organic compound with a distinctive blue color. It is an oxindole dimer consisting of two fused oxindole rings. Indoles are compounds which consist of a pyrrole ring fused to benzene to form 2,3-benzopyrrole. Indigo is found in both plants and animals and has been detected in human urine and human tissues (PMID: 11076521; PMID: 8667928). The natural precursor to indigo is indican, a colorless, water-soluble derivative of the amino acid tryptophan. Indican readily hydrolyzes to release β-D-glucose and indoxyl. Oxidation of indoxyl by CYP450 enzymes in the liver or kidneys can convert indoxyl to indigo (PMID: 11076521). Likewise, exposure to air can convert indoxyl to indigo. In addition to the mammalian production of minute amounts of indigo, this chemical can also be recovered in far larger amounts from plants. Historically, indigo has been extracted from the leaves of certain plants of the Indigofera genus, in particular Indigofera tinctoria. Indigofera plants were commonly grown and used throughout the world for the production of indigo dyestuff. This was economically important due to the previous rarity of some blue dyestuffs historically. India was the primary supplier of indigo to Europe as early as the Greco-Roman era. The association of India with indigo is reflected in the Greek word for the dye, indikón. The Romans latinized the term to indicum, which passed into Italian dialect and eventually into English as the word indigo. Most indigo dye produced today is synthetic, constituting several thousand tons each year. It is most commonly associated with the production of denim cloth and blue jeans.
Indirubin
Indirubin or indigo red is an organic compound with a distinctive deep red/orange color. It is an oxindole dimer consisting of two fused oxindole rings. Indoles are compounds which consist of a pyrrole ring fused to benzene to form 2,3-benzopyrrole. Indirubin is found in both plants and animals and has been detected in human urine and human tissues (PMID: 11076521; PMID: 8667928). The precursor to indirubin is indican, a colorless, water-soluble derivative of the amino acid tryptophan which is converted to indole via microbial metabolism. Indican readily hydrolyzes to release β-D-glucose and indoxyl. Oxidation of indoxyl by CYP450 enzymes in the liver or kidneys can convert indoxyl to indirubin (PMID: 11076521). Likewise, exposure to air can convert indoxyl to indirubin. In addition to the mammalian production of minute amounts of indirubin, this chemical can also be recovered in far larger amounts from plants. Historically, indirubin has been extracted from the leaves of certain plants of the Indigofera genus, in particular Indigofera tinctoria. Indigofera plants were commonly grown and used throughout the world for the production of dyes. Indirubin is a chemical constituent of indigo naturalis (also known as qing dai), which has been used for hundreds of years in traditional Chinese medicine. It is produced by collecting the waste products from the bacterial degradation of specific forms of vegetation. Indirubin has shown anti-inflammatory and anti-angiogenesis properties in vitro (PMID: 21207415). It has also been studied for potential use in the treatment of ulcerative colitis (PMID: 23674882). D000970 - Antineoplastic Agents D004396 - Coloring Agents Indirubin (Couroupitine B) is a bis-indole alkaloid and has emarkable anticancer activity against chronic myelocytic leukemia[1][2]. Indirubin (Couroupitine B) is a bis-indole alkaloid and has emarkable anticancer activity against chronic myelocytic leukemia[1][2].
3-Deazaneplanocin
9-Hydroxyellipticine
D000970 - Antineoplastic Agents > D000972 - Antineoplastic Agents, Phytogenic > D004611 - Ellipticines D009676 - Noxae > D000963 - Antimetabolites
Thiochrome
Thiochrome, a natural oxidation product and metabolite of thiamine, is a selective M4 muscarinic receptor of acetylcholine (ACh) affinity enhancer. Thiochrome has neutral cooperativity with ACh at M1 to M3 receptors[1][2].
Carboxymethyl cellulose, sodium salt
It is used as a food additive .
2-(6'-methylthio)hexylmalate
2-(6-methylthio)hexylmalate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-(6-methylthio)hexylmalate can be found in a number of food items such as common mushroom, greenthread tea, butternut squash, and romaine lettuce, which makes 2-(6-methylthio)hexylmalate a potential biomarker for the consumption of these food products.
3-(6'-methylthio)hexylmalate
3-(6-methylthio)hexylmalate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3-(6-methylthio)hexylmalate can be found in a number of food items such as feijoa, chanterelle, pepper (c. baccatum), and date, which makes 3-(6-methylthio)hexylmalate a potential biomarker for the consumption of these food products.
salicyl-6-hydroxy-2-cyclohexene-on-oyl
Salicyl-6-hydroxy-2-cyclohexene-on-oyl, also known as salicyl-hch or acylsaligenin, is a member of the class of compounds known as benzyloxycarbonyls. Benzyloxycarbonyls are organic compounds containing a carbonyl group substituted with a benzyloxyl group. Salicyl-6-hydroxy-2-cyclohexene-on-oyl is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Salicyl-6-hydroxy-2-cyclohexene-on-oyl can be found in a number of food items such as abiyuch, european plum, persimmon, and chinese cinnamon, which makes salicyl-6-hydroxy-2-cyclohexene-on-oyl a potential biomarker for the consumption of these food products.
Indirubin
A member of the class of indolones that is 1,3-dihydro-2H-indol-2-one substituted by a 3-oxo-1,3-dihydro-2H-indol-2-ylidene group at position 3. It is the active component of Dang Gui Long Hui Wan, which has been used in traditional Chinese medicine to treat inflammatory diseases and chronic myeloid leukemia. Indirubin is under investigation in clinical trial NCT01735864 (Dosage Determination Trial for Indigo Naturalis Extract in Oil Ointment). Indirubin is a natural product found in Isatis tinctoria, Couroupita guianensis, and Calanthe discolor with data available. D000970 - Antineoplastic Agents D004396 - Coloring Agents Indirubin (Couroupitine B) is a bis-indole alkaloid and has emarkable anticancer activity against chronic myelocytic leukemia[1][2]. Indirubin (Couroupitine B) is a bis-indole alkaloid and has emarkable anticancer activity against chronic myelocytic leukemia[1][2].
Indigo_dye
C.i. vat blue 1 is a dark blue powder with coppery luster. Occurs in isomeric forms (cis and trans). In solid state it is in the trans form. (NTP, 1992) Indigo dye is a member of hydroxyindoles. Indigo is a natural product found in Isatis tinctoria and Couroupita guianensis with data available. Indolesulfonic acid used as a dye in renal function testing for the detection of nitrates and chlorates, and in the testing of milk. D004396 - Coloring Agents
Isoindigotin
Isoindigo is the acceptor of donor-acceptor (D-A) conjugated polymer, as well as an Indigo series dye. Isoindigo equips two lactam rings and strong electron-withdrawing character. Isoindigo can be used for dyeing and pigment preparation. Isoindigo shows high mobility and good ambient stability in FETs[1].
4-hydroxy-7H-pyrido[2,3,4-kl]acridine-6-carbaldehyde
methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate
violaceol II
An aromatic ether in which the ether functionality links a 2,3-dihydroxy-5-methylphenyl group with a 2,6-dihydroxy-4-methylphenyl group. Fungal metabolite isolated inter alia from Aspergillus spp.
violaceol i
An aromatic ether in which the ether functionality links two 2,3-dihydroxy-5-methylphenyl groups. Fungal metabolite isolated inter alia from Aspergillus spp.
2,3-Didehydro,Me ester,Me ether-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
4,6,8-Tri-Me ether-4,5,6,8-Tetrahydroxy-6-naphthalenecarboxaldehyde|5-Hydroxy-4,6,8-trimethoxy-2-naphthaldehyd
2-Naphthalenecarboxylic acid, 6-hydroxy-4,5-dimethoxy-, methyl ester
3-(1,3-dihydroxy-5-phenoxy)-1,5-dimethoxybenzene|pisticiphloro-glucinyl ether
(+)-Obliquin hydrate|11-hydroxy-11,12-dihydroobliquine
Thiochrome
Thiochrome, a natural oxidation product and metabolite of thiamine, is a selective M4 muscarinic receptor of acetylcholine (ACh) affinity enhancer. Thiochrome has neutral cooperativity with ACh at M1 to M3 receptors[1][2].
(E)-3-((3R*,4S*)-8-hydroxy-3,4-dimethyl-1-oxoisochroman-7-yl)acrylic acid|pestalotiopisorin A
(2-hydroxyphenyl)methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
2-Hydroxy-2-(propyl-(2))-7-oxo-2,3-dihydro-7H-pyrano[2,3-g]-1,4-benzodioxin|2-Hydroxy-2--7-oxo-2,3-dihydro-7H-pyrano<2,3-g>-1,4-benzodioxin
(E)-[5-(5-Methylhtien-2-yl)-2-penten-4-ynyl]-3-methylbutanoate
C15H18O2S (262.10274480000004)
6-Acetyl-2-isopropenyl-8-methoxy-4H-1,3-benzodioxin-4-one
6-benzyl-6-hydroxy-1-methoxy-3-methylenepiperazine-2,5-dione
6-(2-hydroxy-3-hydroxymethyl-3-butenyl)-7-hydroxycoumarin
3-methyl-2-butenoic acid 1-O-beta-D-glucopyranoside|thotneoside C
2,3-Dimethoxy-4-hydroxy-1,2,3,4-tetrahydrodibenzofuran-1-one
lawsonaphthoate B|methyl 1,4-dimethoxy-6-hydroxynaphthalene-2-carboxylate
5-hydroxy-2-methoxy-9-methyl-1-(2-oxopropyl)benzo[beta]oxepin-7(2H)-one
Deoxy,3-acetoxy,4,5-dihydro-9-(2-Thieenyl)-4,6-nonadien-8-yl-1-ol
C15H18O2S (262.10274480000004)
1-(5-Hydroxymethyl-2-furyl)-3,4-dihydro-1H-2-benzopyran-6,7-diol
6-ethyl-5-hydroxy-3,7-dimethoxynaphthoquinone|ethyl-5-hydroxy-3,7-dimethoxynaphthoquinone
9-Methoxy-7H-naphtho[1,2,3-ij][2,7]naphthyridin-7-one
(-)-(2S)-guignardic acid ammonium salt|(-)-ammonium (2S,5Z)-2-(1-methylethyl)-4-oxo-5-(phenylmethylene)-1,3-dioxolane-2-carboxylate
Methyl 2-(6-acetyl-5-hydroxy-2,3-dihydrobenzofuran-2-yl)propenoate
Di-Et ester,2,5:3,4-di-O-methylene-Galactaric acid
7-hydroxy-6-(2-hydroxy-3-methylbut-3-enyloxy)-2H-chromen-2-one|hibiscusin
Rutaretin
Rutaretin is a member of psoralens. Rutaretin is a natural product found in Atalantia racemosa, Fatoua pilosa, and other organisms with data available.
Qianhucoumarin G
Qianhucoumarin G is a natural product found in Cyclospermum leptophyllum and Glehnia littoralis with data available.
9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
2-phenylfuro[2,3-h]chromen-4-one [IIN-based on: CCMSLIB00000848798]
2-phenylfuro[2,3-h]chromen-4-one [IIN-based: Match]
2-Thiopheneacetic acid, 5-(hydroxyphenylmethyl)-α-methyl-
3-deazaneplanocin
3-(4-Nitrobenzyl)-5-hydroxy-3H-imidazole-4-carboxamide
1,1,2,2-Ethanetetracarboxylic acid, tetramethyl ester
(5-amino-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
6-deuterio-1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trideuteriomethyl)pyrimidine-2,4-dione
4-CHLOROACETYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Methyl 4,5-dihydroxy-8-methoxy-6-methyl-2-naphthoate
2-(4-fluorophenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
C14H11FO4 (262.06413380000004)
N-(1,3-benzodioxol-5-ylmethyl)-5-oxopyrrolidine-2-carboxamide
Benzo[C][1,2,5]thiadiazole-5-boronic acid pinacol ester
C12H15BN2O2S (262.09472400000004)
(4E)-4-(2-FURYLMETHYLENE)-2-METHYL-1,3-OXAZOL-5(4H)-ONE
Benzene, 4-(chloromethyl)-1-cyclopentyl-2-(trifluoromethyl)
3-(3-nitro-4-tetrahydro-1h-pyrrol-1-ylphenyl)acrylic acid
1,2-O-ISOPROPYLIDENE-ALPHA-D-GLUCOFURANOSE 3-ACETATE
5-MORPHOLIN-4-YL-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
5-NITRO-1-PIPERIDIN-4-YL-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE
1-(3,4-Dimethoxyphenyl)-3-methoxy-4(1H)-pyridazinone
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadi azole
C12H15BN2O2S (262.09472400000004)
2-CHLORO-N-[4-(DIMETHYLAMINO)PHENYL]PROPANAMIDE HYDROCHLORIDE
C11H16Cl2N2O (262.06396259999997)
ammonium 1,4-dihydro-3-methyl-4-oxo-1-naphthylideneaminooxyacetate
2-(4-TRIFLUOROMETHYLPHENYL)-1H-PYRROLO[2,3-C]PYRIDINE
3-Cyano-2-methyl-6-phenyl-4-(trifluoromethyl)-pyridine
ETHYL 4-HYDROXY-1,7-DIMETHYL-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
5-Amino-1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl )-1H-pyrazole-4-carbonitrile
VUF 10166
VUF10166 is a potent and high-affinity 5-HT3 receptor antagonist, with Ki values of 0.04 nM (5-HT3A) and 22 nM (5-HT3AB). VUF10166 inhibits 5-HT-induced responses at 5-HT3A and 5-HT3AB receptors at nanomolar concentrations. At 5-HT3 receptor, VUF10166 at higher concentrations also acts as a partial agonist, with an EC50 of 5.2 μM[1].
1-[2-(3-methoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione
5-oxo-5-(3-oxo-2,4-dihydroquinoxalin-1-yl)pentanoic acid
cyclohexylmethyl-pyridin-3-yl-amine dihydrochloride
dimethyl 1-(2-chloroethyl)cyclohexane-1,4-dicarboxylate
4-[3-(2-METHOXY-PHENYL)-[1,2,4]OXADIAZOL-5-YL]-BUTYRIC ACID
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
4-[3-(3-METHOXY-PHENYL)-[1,2,4]OXADIAZOL-5-YL]-BUTYRIC ACID
Benzylsulfamide
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
5-NITROSPIRO[BENZIMIDAZOLE-2,1-CYCLOHEXAN]-4-AMINE 1-OXIDE
2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]pyran-4-one
benzyl N-(1-methyl-2,5-dioxo-pyrrolidin-3-yl)carbamate
(2-ISOBUTOXY-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
4-[(4-chlorophenyl)methyl]-3-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole
ethyl 3-[1-(4-fluorophenyl)ethyl]imidazole-4-carboxylate
C14H15FN2O2 (262.11175019999996)
2-(2-ETHYL-PYRIDIN-4-YL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide
3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one hydrochloride
C11H16Cl2N2O (262.06396259999997)
Propanedinitrile, 2-[hydroxy(4-phenoxyphenyl)Methylene]-
1-(2-chloropyrimidin-4-yl)-N-methylpiperidin-3-amine hydrochloride
3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER
1,3,4,6-Tetrakis(hydroxymethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
(3-Trifluoromethyl-5,6,7,8-tetrahydro-4H-cycloheptapyrazol-1-yl)-acetic acid
1-(pyrrolidin-1-ylsulfonyl)piperidine-3-carboxylic acid
1,2,5,6-TETRAHYDRO-6-(4-METHOXYPHENYL)-4-METHYL-2-OXO-5-PYRIMIDINECARBOXYLIC ACID
8-(cyclopropylmethoxy)-4-hydroxy-7-methoxychromen-2-one
(S)-METHYL 4-(4,4,4-TRIFLUORO-1-HYDROXYBUTYL)BENZOATE
1-(5-chloro-2-methoxyphenyl)piperazine hydrochloride
C11H16Cl2N2O (262.06396259999997)
4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
(6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide
(E)-3-(2-methyl-1H-indol-3-yl)-1-pyridin-4-ylprop-2-en-1-one
3-(naphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
2-[(4-methoxyphenyl)methylthio]-6-methyl-1H-pyrimidin-4-one
3-{[(2-Furylmethyl)thio]methyl}-4-methoxybenzaldehyde
7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-
2H-Furo(2,3-h)-1-benzopyran-2-one, 8,9-dihydro-9-hydroxy-8-(1-hydroxy-1-methylethyl)-
(2S)-1-Amino-3-[(5-nitroquinolin-8-YL)amino]propan-2-OL
4-(4-Methyl-1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)benzonitrile
8,9,10-Trihydroxy-7-hydroxymethyl-3-methyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione
(S)-Rutaretin
(s)-rutaretin is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one (s)-rutaretin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-rutaretin can be found in green vegetables, which makes (s)-rutaretin a potential biomarker for the consumption of this food product. (S)-Rutaretin is found in green vegetables. (S)-Rutaretin is isolated from seeds of Apium graveolens and Ruta graveolens (rue
3-[1-(2-Carboxyethyl)benzimidazol-2-yl]propanoic acid
(2S,3R)-3-hydroxy-2-(7-sulfanylheptanoylamino)butanoate
C11H20NO4S- (262.11129800000003)
2-Amino-4-(2-furanyl)-6-(2-pyridinyl)-3-pyridinecarbonitrile
2-(4-Methylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one
5-[(2-amino-1H-benzimidazol-6-yl)amino]-5-oxopentanoic acid
1-Piperidinyl-(5-thiophen-2-yl-3-isoxazolyl)methanone
2-[(4-methylphenyl)thio]-N-(1H-1,2,4-triazol-5-yl)propanamide
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-furancarboxamide
3,5-dimethyl-N-[2-(methylthio)phenyl]-4-isoxazolecarboxamide
N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
(2S)-2-{[(3S)-3-amino-3-carboxypropanoyl]amino}pentanedioic acid
1-(3-Methoxyphenyl)-2-[(1-methyl-2-imidazolyl)thio]ethanone
2-Acetamido-3-(4-acetamidophenyl)prop-2-enoic acid
3-(3-Furylmethylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
1-(3,4,5-Trihydroxy-7-methoxynaphthalen-2-yl)propan-2-one
5-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-oxopentanoic acid
5-[(2-amino-1H-3,1-benzimidazol-3-ium-6-yl)amino]-5-oxopentanoate
(2Z)-2-benzylidenebenzo[1,2-b:3,4-b]difuran-3(2H)-one
(4R)-4-[(2S,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxopentanoic acid
2-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-hydroxy-2,3-dihydropyran-6-one
(5E)-3-Ethyl-5-[(N-methylanilino)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
2,5-Dihydro-4-hydroxy-1-methyl-5-oxo-2-(3-pyridinyl)-1H-pyrrole-3-carboxylic acid ethyl ester
Mecadox
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens D000890 - Anti-Infective Agents
5,11-Dimethyl-6H-pyrido[4,3-b]carbazol-9-ol
D000970 - Antineoplastic Agents > D000972 - Antineoplastic Agents, Phytogenic > D004611 - Ellipticines D009676 - Noxae > D000963 - Antimetabolites
cresyl violet
A cationic heterotetracyclic fluorescent dye derived from benzo[a]phenoxazine.
beta-Asp-Glu
A dipeptide consisting of an L-aspartyl residue attached to L-glutamic acid via the beta-carboxy group.
Glu-asp
A dipeptide composed of L-glutamic acid and L-aspartic acid joined by a peptide linkage.
Clenproperol
C11H16Cl2N2O (262.06396259999997)
Clenproperol is a β2-adrenergic agonist[1].
MLS000545091
MLS000545091 is a potent and selective lipoxygenase-2 (LOX-2) inhibitor with an IC50 value of 2.6 μM for h15-LOX-2[1].
methyl 11-hydroxy-8-oxo-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-6-carboxylate
(2s)-6-acetyl-8-methoxy-2-(prop-1-en-2-yl)-2h-1,3-benzodioxin-4-one
(2r)-9-hydroxy-2-(2-hydroxypropan-2-yl)-2h,3h-furo[3,2-g]chromen-7-one
(1s,3s,4r,6r,8s,9s,12s)-8-hydroxy-6,9-dimethyl-10-methylidene-5,13-dioxapentacyclo[7.4.0.0¹,¹².0³,⁸.0⁴,⁶]tridecane-7,11-dione
[4-methoxy-5-(methylsulfanyl)-[2,2'-bipyridin]-6-yl]methanol
methyl 2-[(2s)-6-acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl]prop-2-enoate
(2r,3r)-3-hydroxy-2-(2-hydroxypropan-2-yl)-2h,3h-furo[3,2-g]chromen-7-one
(2s)-2-{[(4s)-4-amino-4-carboxy-1-hydroxybutylidene]amino}butanedioic acid
(6r,7s)-6,7-dihydroxy-8,8-dimethyl-6h,7h-pyrano[3,2-g]chromen-2-one
12-methyl-2,12-diazatetracyclo[9.7.0.0³,⁸.0¹³,¹⁸]octadeca-3,5,7,10,13,15,17-heptaen-9-one
methyl (4z,6e)-5-hydroxy-7-(4-hydroxyphenyl)-3-oxohepta-4,6-dienoate
3-[(2s,6r)-12-hydroxy-3-methylidene-5,7-dioxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-11-yl]propanoic acid
(9r,10s)-9,10-dihydroxy-8,8-dimethyl-9h,10h-pyrano[2,3-h]chromen-2-one
1-(3',5'-dihydroxyphenyl)-2-(4''-hydroxy-phenyl)-ethane-1,2-diol
{"Ingredient_id": "HBIN001053","Ingredient_name": "1-(3',5'-dihydroxyphenyl)-2-(4''-hydroxy-phenyl)-ethane-1,2-diol","Alias": "NA","Ingredient_formula": "C14H14O5","Ingredient_Smile": "C1=CC(=CC=C1C(C(C2=CC(=CC(=C2)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15127","TCMID_id": "6086","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,7,8-trihydroxy-6-methyl-1-naphthalenecarboxaldehyde; 2'-hydroxy,7,8-di-me ether
{"Ingredient_id": "HBIN004997","Ingredient_name": "2,7,8-trihydroxy-6-methyl-1-naphthalenecarboxaldehyde; 2'-hydroxy,7,8-di-me ether","Alias": "NA","Ingredient_formula": "C14H14O5","Ingredient_Smile": "NA","Ingredient_weight": "262.26","OB_score": "NA","CAS_id": "205672-80-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8810","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dihydro-1,2-secomicrominutinin
{"Ingredient_id": "HBIN007345","Ingredient_name": "3,4-dihydro-1,2-secomicrominutinin","Alias": "NA","Ingredient_formula": "C14H14O5","Ingredient_Smile": "C=C1COC2C1C3=C(O2)C=CC(=C3O)CCC(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5708","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxybenzyl sulfoxide
{"Ingredient_id": "HBIN010521","Ingredient_name": "4-hydroxybenzyl sulfoxide","Alias": "NA","Ingredient_formula": "C14H14O3S","Ingredient_Smile": "NA","Ingredient_weight": "262.32","OB_score": "NA","CAS_id": "189639-17-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7818","PubChem_id": "NA","DrugBank_id": "NA"}
angelidiol
{"Ingredient_id": "HBIN016095","Ingredient_name": "angelidiol","Alias": "NA","Ingredient_formula": "C14H14O5","Ingredient_Smile": "CC(CO)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O","Ingredient_weight": "262.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14299","TCMID_id": "1194","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "134715205","DrugBank_id": "NA"}
8-hydroxy-6,9-dimethyl-10-methylidene-5,13-dioxapentacyclo[7.4.0.0¹,¹².0³,⁸.0⁴,⁶]tridecane-7,11-dione
6-hydroxy-7-[(4-hydroxy-3-methylbut-2-en-1-yl)oxy]chromen-2-one
(9r,10r)-9,10-dihydroxy-8,8-dimethyl-9h,10h-pyrano[2,3-h]chromen-2-one
6-(1,2-dihydroxy-2-phenylethyl)-4-methoxypyran-2-one
1-hydroxy-1-(4-methylundeca-1,9-dien-6-yl)-1λ⁶-disulfen-1-one
C12H22O2S2 (262.10611520000003)
6-hydroxy-4,5-dimethoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),9,11-tetraen-3-one
(9s,10r)-9,10-dihydroxy-8,8-dimethyl-9h,10h-pyrano[2,3-h]chromen-2-one
(4s,6e)-9,11-dihydroxy-4-methyl-4,5-dihydro-1h-3-benzoxecine-2,8-dione
4-methoxy-1-[2-(1-methyl-4-methylidene-5-oxopyrrolidin-2-ylidene)acetyl]-5h-pyrrol-2-one
(2r)-2-[(carboxymethyl)amino]-3-(1h-indol-3-yl)propanoic acid
(10e)-10-(hydroxymethylidene)-8,14-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,8,11,13(17),14-octaen-12-ol
5-hydroxy-8-methoxy-2,2-dimethyl-8h-furo[3,4-g]chromen-6-one
2-methyl-2,12-diazatetracyclo[9.7.0.0³,⁸.0¹³,¹⁸]octadeca-1(11),3,5,7,13,15,17-heptaen-10-one
2-isopropyl-4-oxo-5-(phenylmethylidene)-1,3-dioxolane-2-carboxylic acid
3-{12-hydroxy-3-methylidene-5,7-dioxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-11-yl}propanoic acid
6-[(1r,2r)-1,2-dihydroxy-2-phenylethyl]-4-methoxypyran-2-one
5,10-dihydroxy-8,8-dimethyl-9h,10h-pyrano[2,3-h]chromen-2-one
6,8-dimethoxy-9-methyl-2,3-dimethylidene-1,4-benzodioxepin-5-one
6-[(2r)-2-hydroxy-3-oxobutyl]-7-methoxychromen-2-one
14-methoxy-10,16-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
7-hydroxy-6-[(2-hydroxy-3-methylbut-3-en-1-yl)oxy]chromen-2-one
4-[(3,4-dihydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol
7-hydroxy-15-methyl-2,11-dioxatricyclo[8.5.0.0³,⁸]pentadeca-3,5,7-triene-9,12-dione
(5s,7s)-5,12-dihydroxy-13-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(10),8,11,13-tetraen-2-one
1-(4,5-dihydroxy-7-methoxynaphthalen-2-yl)-2-hydroxypropan-1-one
3-methoxy-10,16-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one
2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]butanedioic acid
(8s,9s)-9-hydroxy-8-(2-hydroxypropan-2-yl)-8h,9h-furo[2,3-h]chromen-2-one
(3-hydroxyphenyl)methyl 2-(4-oxo-5,6-dihydropyran-3-yl)acetate
(6z)-9,11-dihydroxy-4-methyl-4,5-dihydro-1h-3-benzoxecine-2,8-dione
2-[2-(furan-2-yl)-2-oxoethyl]-tetrahydro-3h-pyrrolo[1,2-a]pyrazine-1,4-dione
ethyl 2-(7-hydroxy-2-methyl-4-oxochromen-5-yl)acetate
6,7-dihydroxy-8,8-dimethyl-6h,7h-pyrano[3,2-g]chromen-2-one
6,7-dihydroxy-3-(3-methoxybut-1-en-1-yl)chromen-4-one
3-(8-hydroxy-3,4-dimethyl-1-oxo-3,4-dihydro-2-benzopyran-7-yl)prop-2-enoic acid
(6s)-6-benzyl-5,6-dihydroxy-1-methoxy-3-methylidenepyrazin-2-one
6-[(1s)-1-hydroxy-3-oxobutyl]-7-methoxychromen-2-one
5-(hexa-2,4-dienoyl)-4-hydroxy-2-methoxybenzoic acid
5-(tetradeca-2,4,6,12-tetraen-8,10-diyn-1-ylidene)furan-2-one
(4z)-4-(phenylmethylidene)-3,10-dioxatricyclo[7.3.0.0²,⁶]dodeca-1,6,8,11-tetraen-5-one
2-hydroxy-6-(hydroxymethyl)-7,8-dimethoxynaphthalene-1-carbaldehyde
4-[(3,4-dihydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,3-diol
5-ethylidene-3-[(5-ethylidene-2,4-dihydroxypyrrol-3-yl)methyl]pyrrole-2,4-diol
3-hydroxy-2-(2-hydroxypropan-2-yl)-2h,3h-furo[3,2-h]chromen-8-one
(6s,7r)-6,7-dihydroxy-8,8-dimethyl-6h,7h-pyrano[3,2-g]chromen-2-one
(2s)-3-(6-hydroxy-1h-indol-3-yl)-2-[(1-hydroxyethylidene)amino]propanoic acid
(6r,7r)-6,7-dihydroxy-8,8-dimethyl-6h,7h-pyrano[3,2-g]chromen-2-one
6-[(2r)-2,4-dihydroxy-3-methylidenebutyl]-7-hydroxychromen-2-one
6-hydroxy-7-{[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]oxy}chromen-2-one
6-ethyl-5-hydroxy-2,7-dimethoxynaphthalene-1,4-dione
(5z)-5-[(2e,4e,6e,12e)-tetradeca-2,4,6,12-tetraen-8,10-diyn-1-ylidene]furan-2-one
7-hydroxy-6-{[(2s)-2-hydroxy-3-methylbut-3-en-1-yl]oxy}chromen-2-one
methyl 2-(6-acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)prop-2-enoate
4-(6,7-dimethoxy-5-methyl-2h-1,3-benzodioxol-4-yl)but-3-yn-2-one
methyl 6-hydroxy-4,5-dimethoxynaphthalene-2-carboxylate
(7r)-1,7-dihydroxy-3-(hydroxymethyl)-5,6,7,8-tetrahydroxanthen-9-one
(2r)-2-{[(1s)-1-carboxy-2-(c-hydroxycarbonimidoyl)ethyl]amino}pentanedioic acid
3,6-dihydroxy-8-methoxy-1-methyl-1h,2h,3h-cyclopenta[c]isochromen-5-one
(2r)-2-(2-hydroxypropan-2-yl)-2h,3h-[1,4]dioxino[2,3-g]chromen-7-one
1-hydroxy-1-[(4s,6r,9z)-4-methylundeca-1,9-dien-6-yl]-1λ⁶-disulfen-1-one
C12H22O2S2 (262.10611520000003)