Exact Mass: 262.1021052
Exact Mass Matches: 262.1021052
Found 500 metabolites which its exact mass value is equals to given mass value 262.1021052,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Helenalin
Helenalin is a sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by a hydroxy group at position 4, methyl groups at positions 4a and 8 and a methylidene group at position 3 (the 3aS,4S,4aR,7aR,8R,9aR stereoisomer). It has a role as an anti-inflammatory agent, an antineoplastic agent, a plant metabolite and a metabolite. It is a gamma-lactone, a cyclic ketone, an organic heterotricyclic compound, a sesquiterpene lactone and a secondary alcohol. Helenalin is a natural product found in Pentanema britannicum, Psilostrophe cooperi, and other organisms with data available. A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by a hydroxy group at position 4, methyl groups at positions 4a and 8 and a methylidene group at position 3 (the 3aS,4S,4aR,7aR,8R,9aR stereoisomer). D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents > D002316 - Cardiotonic Agents D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D002317 - Cardiovascular Agents D018501 - Antirheumatic Agents
Nopalinic acid
Nopalinic acid is found in fats and oils. Nopalinic acid is isolated from Helianthus annuus (sunflower
Grosheimin
Origin: Plant; SubCategory_DNP: Sesquiterpenoids (3aR,4S,6aR,9S,9aR,9bR)-Octahydro-4-hydroxy-9-methyl-3,6-bis(methylene)azuleno[4,5-b]furan-2,8(3H,4H)-dione. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=22489-66-3 (retrieved 2024-07-09) (CAS RN: 22489-66-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Parthenin
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.
Pentalenolactone E
A sesquiterpene lactone obtained by formal dehydrogenation of the 4-methyl position of pentalenolactone D.
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
Dihydrowyerol
Dihydrowyerol is found in pulses. Dihydrowyerol is a constituent of broad bean Vicia faba infected with Botrytis species. Constituent of broad bean Vicia faba infected with Botrytis subspecies Dihydrowyerol is found in pulses.
(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.
5,6-Dihydro-4-methoxy-6-[2-(4-methoxyphenyl)ethyl]-2H-pyran-2-one
5,6-Dihydro-4-methoxy-6-[2-(4-methoxyphenyl)ethyl]-2H-pyran-2-one is found in beverages. 5,6-Dihydro-4-methoxy-6-[2-(4-methoxyphenyl)ethyl]-2H-pyran-2-one is a constituent of Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002)
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
Dihydrosuberenol
Dihydrosuberenol is found in beverages. Dihydrosuberenol is isolated from Limonia acidissima (wood apple
Armexifolin
Armexifolin is found in herbs and spices. Armexifolin is isolated from Tanacetum vulgare (tansy Isolated from Tanacetum vulgare (tansy). Armexifolin is found in herbs and spices.
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
Enokipodin D
Enokipodin D is found in mushrooms. Enokipodin D is a constituent of Flammulina velutipes (velvet shank). Constituent of Flammulina velutipes (velvet shank). Enokipodin D is found in mushrooms.
3-Deazaneplanocin
9-Hydroxyellipticine
D000970 - Antineoplastic Agents > D000972 - Antineoplastic Agents, Phytogenic > D004611 - Ellipticines D009676 - Noxae > D000963 - Antimetabolites
Artemisin
D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
Helenalin
Hymenin
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].
Jacquinelin
Jacquinelin, also known as 11,13-dihydro-8-deoxylactucin or jacquilenin, is a member of the class of compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Jacquinelin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Jacquinelin can be found in chicory and endive, which makes jacquinelin a potential biomarker for the consumption of these food products.
Phosphatidylglycerol
Phosphatidylglycerol is a member of the class of compounds known as glycerophosphates. Glycerophosphates are compounds containing a glycerol linked to a phosphate group. Phosphatidylglycerol is soluble (in water) and a moderately acidic compound (based on its pKa). Phosphatidylglycerol can be found in a number of food items such as green bell pepper, fig, papaya, and carrot, which makes phosphatidylglycerol a potential biomarker for the consumption of these food products. Approximately 98\\% of alveolar wall surface area is due to the presence of type I cells, with type II cells producing pulmonary surfactant covering around 2\\% of the alveolar walls. Once surfactant is secreted by the type II cells, it must be spread over the remaining type I cellular surface area. Phosphatidylglycerol is thought to be important in spreading of surfactant over the Type I cellular surface area. The major surfactant deficiency in premature infants relates to the lack of phosphatidylglycerol, even though it comprises less than 5\\% of pulmonary surfactant phospholipids. It is synthesized by head group exchange of a phosphatidylcholine enriched phospholipid using the enzyme phospholipase D .
(11S,13)-Dihydro-8-deoxylactucin
(11s,13)-dihydro-8-deoxylactucin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (11s,13)-dihydro-8-deoxylactucin can be found in chicory, which makes (11s,13)-dihydro-8-deoxylactucin a potential biomarker for the consumption of this food product.
Taraxinic acid
Taraxinic acid, also known as taraxinate, belongs to germacranolides and derivatives class of compounds. Those are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. Taraxinic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Taraxinic acid can be found in dandelion, which makes taraxinic acid a potential biomarker for the consumption of this food product.
Grosheimin
Grosheimin belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Grosheimin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Grosheimin is a bitter tasting compound found in globe artichoke, which makes grosheimin a potential biomarker for the consumption of this food product.
Austricin
Austricin is a member of the class of compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Austricin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Austricin can be found in german camomile and sweet bay, which makes austricin a potential biomarker for the consumption of these food products.
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.
Austricine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.760 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.761 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.759
Chloranthalactone E
Chloranthalactone E is a natural product found in Sarcandra glabra with data available.
[3aR-(3aalpha,8abeta,9aalpha)]-3a,7,8,8a,9,9a-Hexahydro-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione
Subcordatolide B
Tubipolide E
[3S-(3alpha,3aR*,4aalpha,6aalpha,9abeta,9balpha)]-5,6,6a,7,9a,9b-Hexahydro-3-hydroxy-1,4a-dimethyl-7-methylene-3H-oxireno[8,8a]azuleno[4,5-b]furan-8(4aH)-one
[3aR-(3aalpha,4beta,6aalpha,7beta,9aalpha,9balpha)]-3a,4,5,6,6a,7,9a,9b-Octahydro-4,7-dihydroxy-9-methyl-3,6-bis(methylene)-azuleno[4,5-b]furan-2(3H)-one
Strychnistenolide
[3aS-(3aalpha,7alpha,7abeta,8abeta,8balpha,8cbeta)]-3a,4,5,7,7a,8a,8b,8c-Octahydro-7-hydroxy-6,8a-dimethyl-3-methylene-oxireno[2,3]azuleno[4,5-b]furan-2(3H)-one
Himeyoshin
10alpha-Hydroxy-9-oxo-3,11(13)-guaiadien-12,6alpha-olide
Arglanin
[3aS-(3aR*,6E,10E,11aS*)]-2,3,3a,4,5,8,9,11a-Octahydro-6-methyl-3-methylene-2-oxocyclodeca[b]furan-10-carboxylic acid
[R-(E)]-5-[5-(2,5-Dihydro-5-oxo-3-furanyl)-2-methyl-2-pentenyl]-3-methyl-2(5H)-furanone
Ludovicin C
5-hydroxy-5-isopropyl-3,8-dimethyl-7,8-dihydronaphthalene-1,2,6-trione
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
(1E,3E,9Z)-1-Chlorohexadeca-5,7-diyne-1,3,9-trien-15-ol|(1E,3E,9Z)-1-chlorohexadeca-5,7-diyne-1,3,9-triene-15-ol
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].
(1E,3E,9Z)-1-Chlorohexadeca-5,7-diyne-1,3,9-trien-14-ol|(1Z,3E,9Z)-1-chlorohexadeca-5,7-diyne-1,3,9-triene-14-ol
(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
(-)-(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
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
3-deazaneplanocin
6-deuterio-1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trideuteriomethyl)pyrimidine-2,4-dione
[(2,2-Dimethoxy-ethylaminooxalyl)-amino]-acetic acid ethyl ester
4-CHLOROACETYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Methyl 4,5-dihydroxy-8-methoxy-6-methyl-2-naphthoate
N,N-Bis(carboxymethyl)-L-lysine
Nα,Nα-Bis(carboxymethyl)-L-lysine is a competitive inhibitor of bitter taste receptor 4, with an IC50 of 59 nM. Nα,Nα-Bis(carboxymethyl)-L-lysine can be used in bitter receptors related study[1][2][3].
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
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)
ammonium 1,4-dihydro-3-methyl-4-oxo-1-naphthylideneaminooxyacetate
ETHYL 4-HYDROXY-1,7-DIMETHYL-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
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
[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-3-yl]boronic 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
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-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide
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
5,6-DIAMINO-1,3-DIPROPYLPYRIMIDINE-2,4(1H,3H)-DIONE HYDROCHLORIDE
C10H19ClN4O2 (262.11964639999997)
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
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)-
Silacyclopenta-2,4-diene, 1,1-dimethyl-2,5-diphenyl-
(2S)-1-Amino-3-[(5-nitroquinolin-8-YL)amino]propan-2-OL
(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
4-{1-[(4,5-Dihydro-1H-imidazol-2-yl)-hydrazono]-ethyl}-2-nitro-phenylamine
5-[(2-amino-1H-benzimidazol-6-yl)amino]-5-oxopentanoic acid
2-[(4-methylphenyl)thio]-N-(1H-1,2,4-triazol-5-yl)propanamide
N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
N-(3,5,5-trimethyl-2-cyclohexenyliden)-2-thiophenecarbohydrazide
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
(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
1H-Indole-2,3-dione, 1-(trimethylsilyl)-, 3-(O-ethyloxime)
2,5-Dihydro-4-hydroxy-1-methyl-5-oxo-2-(3-pyridinyl)-1H-pyrrole-3-carboxylic acid ethyl ester
Ornaline
A glutamic acid derivative in which one of the amino hydrogens of glutamic acid has been replaced by a 4-amino-1-carboxybutyl group.
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.
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
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
(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"}
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
(2s,7z,13e,15e)-16-chlorohexadeca-7,13,15-trien-9,11-diyn-2-ol
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
(3s,7z,13e,15e)-16-chlorohexadeca-7,13,15-trien-9,11-diyn-3-ol
(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
(3s,7z,13e,15z)-16-chlorohexadeca-7,13,15-trien-9,11-diyn-3-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
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
(8s,9s)-9-hydroxy-8-(2-hydroxypropan-2-yl)-8h,9h-furo[2,3-h]chromen-2-one
(3s,7z,13z,15z)-16-chlorohexadeca-7,13,15-trien-9,11-diyn-3-ol
(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
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
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)