Exact Mass: 276.1173092
Exact Mass Matches: 276.1173092
Found 500 metabolites which its exact mass value is equals to given mass value 276.1173092
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sudan_II
C.i. solvent orange 7 appears as red crystals. Insoluble in water. Sudan II is a member of azobenzenes.
Saccharopine
Saccharopine is an intermediate in the degradation of lysine, formed by the condensation of lysine and alpha-ketoglutarate. The saccharopine pathway is the main route for lysine degradation in mammals, and its first two reactions are catalyzed by enzymatic activities known as lysine-oxoglutarate reductase (LOR) and saccharopine dehydrogenase (SDH), which reside on a single bifunctional polypeptide (LOR/SDH) (EC 1.5.1.8). The reactions involved with saccharopine dehydrogenases have very strict substrate specificity for L-lysine, 2-oxoglutarate, and NADPH. LOR/SDH has been detected in a number of mammalian tissues, mainly in the liver and kidney, contributing not only to the general nitrogen balance in the organism but also to the controlled conversion of lysine into ketone bodies. A tetrameric form has also been observed in human liver and placenta. LOR activity has also been detected in brain mitochondria during embryonic development, and this opens up the question of whether or not lysine degradation has any functional significance during brain development. As a result, there is now a new focus on the nutritional requirements for lysine in gestation and infancy. Finally, LOR and/or SDH deficiencies seem to be involved in a human autosomal genetic disorder known as familial hyperlysinemia, which is characterized by serious defects in the functioning of the nervous system and characterized by a deficiency in lysine-ketoglutarate reductase, saccharopine dehydrogenase, and saccharopine oxidoreductase activities. Saccharopinuria (high amounts of saccharopine in the urine) and saccharopinemia (an excess of saccharopine in the blood) are conditions present in some inherited disorders of lysine degradation (PMID: 463877, 10567240, 10772957, 4809305). If present in sufficiently high levels, saccharopine can act as an acidogen and a metabotoxin. An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Saccharopine is an organic acid. Abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis. Acidosis typically occurs when arterial pH falls below 7.35. In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy). Many affected children with organic acidemias experience intellectual disability or delayed development. Amino acid from Saccharomyces cerevisiae and Neurospora crassaand is also found in mushrooms and seeds
5-Amino-6-ribitylamino uracil
C9H16N4O6 (276.10697960000005)
5-Amino-6-ribitylamino uracil is an intermediate in riboflavin metabolism. It is converted from 5-amino-6-(5-phosphoribitylamino)uracil via dephosphorylation by the enzyme phosphohistidine phosphatase 1 (EC 3.1.3.-). It is considered to be the second product of the riboflavin synthase reaction (PMID: 14245407). Humans do not have all the enzymes needed to synthesize or metabolize riboflavin. However, gut microflora do have the necessary enzymatic machinery to produce and metabolize this vitamin. Riboflavin (or vitamin B2) is an easily absorbed micronutrient with a key role in maintaining health in humans and animals. It is the central component of the cofactors FAD and FMN, and is therefore required by all flavoproteins. Riboflavin is yellow or yellow-orange in colour and in addition to being used as a food colouring it is also used to fortify some foods including baby foods, breakfast cereals, pastas, sauces, processed cheese, fruit drinks, vitamin-enriched milk products, some energy drinks, and vitamin supplements. 5-amino-6-(d-ribitylamino)uracil, also known as 5-amino-6-ribitylamino-2,4-(1h,3h)pyrimidinedione or 5-arpd, is a member of the class of compounds known as pentoses. Pentoses are monosaccharides in which the carbohydrate moiety contains five carbon atoms. 5-amino-6-(d-ribitylamino)uracil is soluble (in water) and a very weakly acidic compound (based on its pKa). 5-amino-6-(d-ribitylamino)uracil can be found in a number of food items such as radish (variety), chinese cabbage, common beet, and spinach, which makes 5-amino-6-(d-ribitylamino)uracil a potential biomarker for the consumption of these food products. 5-amino-6-(d-ribitylamino)uracil exists in E.coli (prokaryote) and yeast (eukaryote).
Triethyl citrate
Triethyl citrate is used in foods as a flavouring agent, solvent and surface-active agent Triethyl citrate is an ester of citric acid. It is a colorless, odorless liquid used as a food additive (E number E1505) to stabilize foams, especially as whipping aid for egg white. In pharmaceutical coatings and plastics It is used in foods as a flavouring agent, solvent and surface-active agent
1-[(2,5-Dimethylphenyl)azo]-2-naphthalenol
1-[(2,5-Dimethylphenyl)azo]-2-naphthalenol is a food dye; delisted for foods by FDA. Food dye; delisted for foods by FDA
N-lactoyl-Tryptophan
N-lactoyl-Tryptophan is lactoyl derivative of tryptophan. N-lactoyl-amino acids are ubiquitous pseudodipeptides of lactic acid and amino acids that are rapidly formed by reverse proteolysis. A protease, cytosolic nonspecific dipeptidase 2 (CNDP2), catalyzes their formation. The plasma levels of these metabolites strongly correlate with plasma levels of lactate and amino acid. (PMID: 25964343)
5-Benzylacyclouridine
D004791 - Enzyme Inhibitors
9-Methoxyellipticine
D000970 - Antineoplastic Agents > D000972 - Antineoplastic Agents, Phytogenic > D004611 - Ellipticines
2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-fluoroaniline
C15H17FN2S (276.10964140000004)
Creatine glutamate
C9H16N4O6 (276.10697960000005)
Etintidine
2-(7'-methylthio)heptylmalate
C12H20O5S (276.10313900000006)
2-(7-methylthio)heptylmalate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-(7-methylthio)heptylmalate can be found in a number of food items such as lima bean, redcurrant, butternut, and green zucchini, which makes 2-(7-methylthio)heptylmalate a potential biomarker for the consumption of these food products.
3-(7'-methylthio)heptylmalate
C12H20O5S (276.10313900000006)
3-(7-methylthio)heptylmalate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3-(7-methylthio)heptylmalate can be found in a number of food items such as teff, babassu palm, corn, and cauliflower, which makes 3-(7-methylthio)heptylmalate a potential biomarker for the consumption of these food products.
URSINOIC ACID
Origin: Plant; SubCategory_DNP: Triterpenoids
6-(2,3-epoxy-1-hydroxy-3methylbut)-7-methoxycoumarin|6-[(3,3-dimethyl-oxiranyl)-hydroxy-methyl]-7-methoxy-chromen-2-one|Lophopterol
8-(1,2-epoxy-3-hydroxy-3-methylbutyl)-7-methoxycoumarin
8-hydroxy-3,7-dimethoxy-1,2,3,11a-tetrahydro-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5-one|Methyl-Neotramizin A|Methyl-Neotramizin B
8beta-hydroxyeremophil-3,7(11)-diene-8alpha,12(6alpha,15)-diolide
3beta-acetoxy-6-acetyl-2alpha-isopropenyl-5-hydroxy-2,3H-benzofuran
9-Methoxyellipticine
D000970 - Antineoplastic Agents > D000972 - Antineoplastic Agents, Phytogenic > D004611 - Ellipticines
(R)-(+)-7-methoxy-8-(2,3-epoxy-3-methylbutoxy)-coumarin
6,8-dihydroxy-7-acetyl-1-keto-3-methoxy-4,4-dimethyl-1,4-dihydronaphthalene
2-(4-Hydroxyphenethyl)-4-hydroxy-6-oxo-1-cyclohexene-1-carboxylic acid
2-(1-Hydroxy-1-methylethyl)-4-methoxy-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one
4,7-Benzofurandione, 3-(hydroxymethyl)-6-methoxy-5-(3-methyl-2-butenyl)-
(+)-(S)-8,9-dihydro-9-phenyl-7H-phenalene-1,2-diol|monolaterol
1-(3,4-Dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-propan|1-(3,4-dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)propane
8-(2,3-epoxy-1-hydroxy-3-methylbutyl)-7-methoxycoumarin
7-Hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromone
(6??,8??OH)-6,8-Dihydroxy-3-oxo-1,7(11),9-eremophilatrien-12,8-olide
(R)-4-(1-hydroxy-3-methylbutyl)-6H-[1,3]dioxolo[4,5-g]chromen-6-one|antidesnol
4-Methoxy-5-methyl-6-(3-methyl-2-butenyloxy)isobenzofuran-1,3-dione
(9betaH)-1alpha,4alpha-dihydroxy-10-oxo-1,10-seco-1(10->9)abeoguaia-2,5,7(11)-trien-12,8beta-olide|millifolide C
(2S,3S,4R,5R)-2,5-epoxy-3,4-dimethyl-8,9-methylenedioxy-10-methoxy-6,11-benzocycloheptan-1-one|gymnothedelignan A
(2?R,4aR,8aS,9aS)-9a-hydroxy-3,8a-dimethyl-4,4a,9,9a-tetrahydro-2H-spiro[naphtho[2,3-b]furan-5,2?-oxirane]-2,6(8aH)-dione|linderolide J
smiglabrol|threo-5-[1-hydroxy-2-(4-hydroxyphenyl)-2-methoxyethyl] benzene-1,3-diol
(5S,6S)-(+)-5-hydroxy-4,6-dimethoxy-6-trans-styryl-5,6-dihydro-2H-pyran-2-on
5,7-dihydroxy-8-[(2E)-4-hydroxy-3-methylbut-2-enyl]-2-methyl-4H-1-benzopyran-4-one
8-(2-hydroxy-3-methylbut-3-enyloxy)-7-methoxycoumarin
6-Deoxy-2-O-methyl-3-C-methuyltalose, 9CI-1,4-Di-Ac
5-methoxy-7-hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)coumarin|7-hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-5-methoxy-coumarin|7-hydroxy-8-(2-hydroxy-3-methyl-but-3-enyl)-5-methoxy-chromen-2-one
(()-Nieshoutol|6-hydroxy-5-methoxy-8,9,9-trimethyl-8,9-dihydro-furo[2,3-h]chromen-2-one|Nieshoutol
Dendrocandin E
A diphenylethane that is 1,2-dihydrostilbene substituted by hydroxy groups at positions 3, 3, 4 and 4 and a methoxy group at position 5. It is isolated from the stems of Dendrobium candidum and exhibits antioxidant activity.
3-carboxy-10-(methylsulfanyl)-2-oxodecanoate
C12H20O5S (276.10313900000006)
Murrangatin
(-)-Minumicrolin is a natural product found in Murraya paniculata with data available.
Capensine
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.050 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.051
(2S)-2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
(2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one
3-(2-hydroxy-4-methoxy-6-methylphenoxy)-5-methylbenzene-1,2-diol
7-[(3,3-dimethyloxiran-2-yl)methoxy]-6-methoxychromen-2-one
8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
Triethylcitrate
CONFIDENCE standard compound; INTERNAL_ID 2857 CONFIDENCE standard compound; INTERNAL_ID 8781
3-(2-hydroxy-4-methoxy-6-methylphenoxy)-5-methylbenzene-1,2-diol
(2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one
3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxopropanoic acid
Lactucin
An azulenofuran that is 3-methylidene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione carrying additional hydroxy, methyl and hydroxymethyl substituents at positions 4, 6 and 9 respectively (the 3aR,4S,9aS,9bR-diastereomer). Found in chicory.
7-[(3,3-dimethyloxiran-2-yl)methoxy]-6-methoxychromen-2-one [IIN-based: Match]
8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one [IIN-based on: CCMSLIB00000848547]
8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one [IIN-based: Match]
Gly Gly Gly Ser
C9H16N4O6 (276.10697960000005)
Gly Gly Ser Gly
C9H16N4O6 (276.10697960000005)
Gly Ser Gly Gly
C9H16N4O6 (276.10697960000005)
Ser Gly Gly Gly
C9H16N4O6 (276.10697960000005)
5-De-O-methyltoddanol
SC-66
SC66 is an Akt inhibitor, reduces cell viability in a dose- and time-dependent manner, inhibits colony formation and induces apoptosis in hepatocellular carcinoma (HCC) cells.
(1R,5S)-5-(Dimethylphenylsilyl)-2-(hydroxymethyl)-2-cyclopentene-1-carboxylic acid
C15H20O3Si (276.11816500000003)
Taglutimide
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Oxagrelate
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
dimethyl 1-allyl-5,5-difluorocyclohexane-1,3-dicarboxylate
1-(tert-Butoxycarbonyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
2-(4-(PIPERAZIN-1-YL)PHENYL)PYRIMIDINE HYDROCHLORIDE
ethyl 4-hydroxy-5,8-dimethoxynaphthalene-2-carboxylate
Urea, N-(3-fluorophenyl)-N-[3-(2-furanyl)-1-methylpropyl]- (9CI)
1-TERT-BUTYL 5-METHYL 1H-INDAZOLE-1,5-DICARBOXYLATE
[(2S)-1-(4-nitrophenyl)pyrrolidin-2-yl]methyl prop-2-enoate
1-Benzyl-3-methylpiperidin-4-ylamine dihydrochloride
1,2:3,4-Di-O-isopropylidene-6-thio-a-D-galactopyranose
C12H20O5S (276.10313900000006)
1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole
C11H16BF3N2O2 (276.12568619999996)
5-ethyl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
4-(METHYLAMINO)-1-BENZYLPIPERIDINE DIHYDROCHLORIDE
ETHYL 4-(2-HYDROXYPHENYL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
1-Butyl-3-methylimidazolium Trifluoro(trifluoromethyl)borate
Ethyl 4-hydroxy-2-oxo-1-propyl-1,2-dihydro-1,8-naphthyridine-3-carboxylate
3,5-di(pyridin-2-yl)phenylboronic acid
C16H13BN2O2 (276.10700280000003)
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indole-2-carboxylic acid
3-(2,5-dimethylphenyl)-1-phenylpyrazole-4-carbaldehyde
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 1-[(1,1-dimethylethyl)dimethylsilyl]-
C14H20N2O2Si (276.12939800000004)
2-([1,1-BIPHENYL]-4-CARBONYL)-3-(DIMETHYLAMINO)ACRYLONITRILE
(R)-1-Benzyl-3-dimethylaminopyrrolidine Dihydrochloride
6-(3-(6-METHYLPYRIDIN-2-YL)-1H-PYRAZOL-4-YL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE
methyl 2-tert-butyl-5-nitro-1H-indole-7-carboxylate
2-acetamido-3-(6-Methoxy-1H-indol-3-yl)propanoic acid
4-(1-PIPERIDINYLMETHYL)-BENZENEMETHANAMINEDIHYDROCHLORIDE
(3R)-1-benzyl-N,N-dimethylpyrrolidin-3-amine,dihydrochloride
5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
Tert-butyl 2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)acetate
methyl (E)-3-(furan-2-yl)-2-[(2-hydroxy-6-oxocyclohexen-1-yl)methyl]prop-2-enoate
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine
2-SULFO-1,4-BENZENEDICARBOXYLIC ACID 1,4-DIMETHYL ESTER, SODIUM SALT
TERT-BUTYL ((2-(TRIFLUOROMETHYL)PYRIDIN-4-YL)METHYL)CARBAMATE
Y-26763
D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
N-(4-TERT-BUTYL-PHENYL)-6-CHLORO-PYRIMIDINE-2,4-DIAMINE
Tris(isopropenyloxy)(phenyl)silane
C15H20O3Si (276.11816500000003)
TERT-BUTYL ((6-(TRIFLUOROMETHYL)PYRIDIN-2-YL)METHYL)CARBAMATE
4-(4-CHLOROBENZYL)-3-METHYL-5-((R)-PYRROLIDIN-2-YL)-4H-1,2,4-TRIAZOLE
((3aR,4S,5R,6aS)-5-hydroxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl benzoate
(3S,5R)-tert-Butyl4-(chlorocarbonyl)-3,5-dimethylpiperazine-1-carboxylate
Pyrido[2,1-f]purine-2,4,6(1H,3H,7H)-trione,8,9-dihydro-1,3,8,8-tetramethyl-
C13H16N4O3 (276.12223459999996)
1-BENZYL-3-(TERT-BUTYL)-1H-PYRAZOLE-5-CARBONYL CHLORIDE
etintidine
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists
1,3-diisocyanato-2-methyl-benzene, 2-methyloxirane, oxirane
5-(3-(1-Methylcyclopropyl)propyl)-1H-pyrano(2,3-d)pyrimidine-2,4,7(3H)-trione
4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
(S)-2-((S)-2-Hydroxypropanamido)-3-(1H-indol-3-yl)propanoic acid
2-[(3-Ethyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid methyl ester
3-(2-Hydroxy-4-methoxy-6-methylphenoxy)-5-methylcatechol
2H-1-Benzopyran-2-one, 7-[(3,3-dimethyloxiranyl)methoxy]-6-methoxy-
Dimethyl 7-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulene-6,8-dicarboxylate
Butanedioic acid, methyl-, bis(trimethylsilyl) ester
(5R,6R,7S,8S)-5-(Hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-A]pyridine-6,7,8-triol
2,4-Dihydroxy-N-[2-(2-mercapto-vinylcarbamoyl)-ethyl]-3,3-dimethyl-butyramide
2-(7-Methylsulfanylheptyl)-3-oxobutanedioic acid
C12H20O5S (276.10313900000006)
2,3-Dihydroxy-6-methyl-5,8-dioxo-4-propan-2-yl-6,7-dihydronaphthalene-1-carbaldehyde
4-methyl-4-sulfanylpentan-2-one-[CysGly] conjugate
(1S,4aR,9aS)-7,8-dimethyl-3-oxospiro[4,4a,6a,7-tetrahydropentaleno[6a,1-c]pyran-1,2-oxirane]-5-carboxylic acid
2-[[(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoyl]amino]acetic acid
4-Amino-5-[2-[carbamimidoyl(methyl)amino]acetyl]peroxy-5-oxopentanoic acid
C9H16N4O6 (276.10697960000005)
4-Amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid
(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid
A diester resulting from the formal sequential esterification of the hydroxy group of one molecule of (3R)-3-hydroxybutyric acid with the carboxy group of a second, followed by the esterification of the hydroxy group of the product with the carboxy group of a third molecule of (3R)-3-hydroxybutyric acid. Isolated from the Japanese inedible mushroom Hypoxylon truncatum and also the sponge-derived actinomycete Micromonospora sp. RV43.
N-(4-methylphenyl)-4-tetrazolo[1,5-a]quinoxalinamine
1-[4-[(2-Methyl-4-quinolinyl)amino]phenyl]ethanone
5-methyl-3-(2-morpholino-2-oxoethyl)-1,3-benzoxazol-2(3H)-one
5-[(2,4-Diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenol
C13H16N4O3 (276.12223459999996)
N-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
N-(3-methylphenyl)-4-tetrazolo[1,5-a]quinoxalinamine
(1-Methylsulfonyl-4-piperidinyl)-(4-morpholinyl)methanone
N-cyclohexyl-N,4-dimethyl-5-thieno[3,2-b]pyrrolecarboxamide
2-[2-Hydroxy-3-(3-hydroxyphenyl)propyl]benzene-1,3,5-triol
6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxohexanoic acid
(5R)-5-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxohexanoic acid
8-[(3,3-Dimethyloxiran-2-yl)methyl]-6-hydroxy-7-methoxychromen-2-one
8-[[3-(Hydroxymethyl)-3-methyloxiran-2-yl]methyl]-7-methoxychromen-2-one
6-[(E)-3,4-dihydroxy-3-methylbut-1-enyl]-7-methoxychromen-2-one
Ethyl 1,2,7-trimethyl-4-nitro-1H-indole-3-carboxylate
Dihydromethysticin
Dihydromethysticin is a member of 2-pyranones and an aromatic ether. Dihydromethysticin is a natural product found in Piper methysticum, Piper majusculum, and Aniba hostmanniana with data available. Dihydromethysticin is one of the six major kavalactones found in the kava plant; has marked activity on the induction of CYP3A23. Dihydromethysticin is one of the six major kavalactones found in the kava plant; has marked activity on the induction of CYP3A23.
5-Amino-6-(D-ribitylamino)uracil
C9H16N4O6 (276.10697960000005)
An aminouracil that is D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 5,6-diaminouracil. Early intermediate in bacterial riboflavin synthesis.
2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-fluoroaniline
C15H17FN2S (276.10964140000004)
3-(5-methoxy-2,2-dimethyl-2H-chromen-8-yl)-3-oxopropanoic acid
carboxylato-PTIO
A benzoate that is the conjugate base of carboxy-PTIO, obtained by deprotonation of the carboxy group.
6,8-dihydroxy-1-methyl-5-(3-methylbut-2-en-1-yl)-1h-isochromene-3,7-dione
(2r,3s)-7-hydroxy-3'-methoxy-3,5-dimethyl-3,4-dihydrospiro[1-benzopyran-2,2'-furan]-5'-one
5-hydroxy-2-methyl-2-(3-methyl-5-oxooxolan-2-yl)-3h-1-benzopyran-4-one
7,8-dihydroxy-6-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
(1r,4r)-4-[(5s)-8-methyl-4,7-dioxo-1,6-dioxaspiro[4.4]nona-2,8-dien-3-yl]cyclohexane-1-carbaldehyde
8-[(1e)-3,4-dihydroxy-3-methylbut-1-en-1-yl]-7-methoxychromen-2-one
(1r,2r,6s,8s,10r)-8-methyl-3-methylidene-5,9,15-trioxatetracyclo[11.2.1.0²,⁶.0⁸,¹⁰]hexadec-13(16)-ene-4,14-dione
8-hydroxy-6-methoxy-7-[(3-methylbut-2-en-1-yl)oxy]chromen-2-one
(9r,10s)-9-hydroxy-10-methoxy-8,8-dimethyl-9h,10h-pyrano[2,3-h]chromen-2-one
(9r)-9-hydroxy-6-methoxy-8,8-dimethyl-9h,10h-pyrano[2,3-h]chromen-2-one
9-hydroxy-6-methoxy-8,8-dimethyl-9h,10h-pyrano[2,3-h]chromen-2-one
5-[(5-amino-2,6-dihydroxypyrimidin-4-yl)amino]pentane-1,2,3,4-tetrol
C9H16N4O6 (276.10697960000005)
(2s)-1-(7-hydroxy-5-methyl-4-oxochromen-2-yl)propan-2-yl acetate
(4r)-5-hydroxy-4,8,8-trimethyl-4h,9h,10h-pyrano[3,2-f]isochromene-2,6-dione
2-(7-hydroxy-2,2-dimethylchromen-6-yl)-2-oxoethyl acetate
(1r,2r,6s,7z,9s)-9-hydroxy-8-methyl-3-methylidene-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-7,12(15)-diene-4,13-dione
2-(2-hydroxy-3-methoxy-5-methylphenoxy)-5-methylbenzene-1,3-diol
(1r,2r,6s,8s,10s)-8-methyl-3-methylidene-5,9,15-trioxatetracyclo[11.2.1.0²,⁶.0⁸,¹⁰]hexadec-13(16)-ene-4,14-dione
7-hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromen-4-one
(2s,3r)-5-acetyl-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-3-yl acetate
7-[(3,3-dimethyloxiran-2-yl)methoxy]-8-methoxychromen-2-one
(1r,2r,6s,8r,10r)-8-methyl-3-methylidene-5,9,15-trioxatetracyclo[11.2.1.0²,⁶.0⁸,¹⁰]hexadec-13(16)-ene-4,14-dione
(1s,4s,5r)-4-[(3e)-4-methyl-5-(4-methylfuran-2-yl)-5-oxopent-3-en-1-yl]-2,6-dioxabicyclo[3.1.0]hexan-3-one
methyl 4a,7-dimethyl-4,6-dioxo-5h,7h,8h-indeno[5,6-b]furan-7a-carboxylate
(6s,7r)-6,10-dihydroxy-7-methoxy-3-methyl-1h,6h,7h,8h-cyclohexa[g]isochromen-9-one
6-[(r)-[(2s)-3,3-dimethyloxiran-2-yl](hydroxy)methyl]-7-methoxychromen-2-one
(1s,2r,4r,7r,9s)-4-(furan-3-yl)-1-methyl-5,10-dioxatricyclo[7.2.1.0²,⁷]dodecane-6,11-dione
(2r)-5-hydroxy-2-methyl-2-[(2r,3s)-3-methyl-5-oxooxolan-2-yl]-3h-1-benzopyran-4-one
(3r)-3,6-dihydroxy-8,8-dimethyl-1-oxo-3h,4h,7h,9h-indeno[4,5-c]pyran-5-carbaldehyde
(1r,2s)-2-hydroxy-2-[(2r)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl acetate
(2r,3r,4s,5s,6r)-2-{[(1r,6s)-6-hydroxycyclohex-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,4s)-4-[(5r)-8-methyl-4,7-dioxo-1,6-dioxaspiro[4.4]nona-2,8-dien-3-yl]cyclohexane-1-carbaldehyde
2-[(2s)-6-acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl]prop-2-en-1-yl acetate
6-hydroxy-5-methoxy-7-[(3-methylbut-2-en-1-yl)oxy]chromen-2-one
(1s,2s,4as,9ar,10s)-1,2,8,10-tetrahydroxy-6-methyl-2,4a,9a,10-tetrahydro-1h-anthracen-9-one
6-hydroxy-3,15-dimethyl-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-2,11-diene-4,13-dione
6-(1,2-dihydroxy-3-methylbut-3-en-1-yl)-7-methoxychromen-2-one
11β,13-dihydrolactucin
{"Ingredient_id": "HBIN000357","Ingredient_name": "11\u03b2,13-dihydrolactucin","Alias": "NA","Ingredient_formula": "C15H16O5","Ingredient_Smile": "CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40764","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dihydro-1,2-secomicrominutinin methyl ester
{"Ingredient_id": "HBIN007347","Ingredient_name": "3,4-dihydro-1,2-secomicrominutinin methyl ester","Alias": "NA","Ingredient_formula": "C15H16O5","Ingredient_Smile": "COC(=O)CCC1=C(C2=C(C=C1)OC3C2C(=C)CO3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5710","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3'-(r)-(+)-hamaudol
{"Ingredient_id": "HBIN009582","Ingredient_name": "3'-(r)-(+)-hamaudol","Alias": "3'(r)-(+)-hamaudol","Ingredient_formula": "C15H16O5","Ingredient_Smile": "CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C(C3)O)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31056;9203","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3'(s)-(?)-hamaudol
{"Ingredient_id": "HBIN009719","Ingredient_name": "3'(s)-(?)-hamaudol","Alias": "NA","Ingredient_formula": "C15H16O5","Ingredient_Smile": "CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C(C3)O)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15701","TCMID_id": "9204","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-methyoxymarmesin
{"Ingredient_id": "HBIN011826","Ingredient_name": "5-methyoxymarmesin","Alias": "NA","Ingredient_formula": "C15H16O5","Ingredient_Smile": "CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14811","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-methoxy-8-(1,4-dihydroxy-3-methyl-2-butenyl)-2h-1-benzopyran-2-one
{"Ingredient_id": "HBIN013321","Ingredient_name": "7-methoxy-8-(1,4-dihydroxy-3-methyl-2-butenyl)-2h-1-benzopyran-2-one","Alias": "NA","Ingredient_formula": "C15H16O5","Ingredient_Smile": "NA","Ingredient_weight": "276.28","OB_score": "NA","CAS_id": "98619-28-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7438","PubChem_id": "NA","DrugBank_id": "NA"}
1,5-dihydroxy-3-(hydroxymethyl)-10a-methyl-6,7-dihydro-5h-xanthen-9-one
6-[(2s)-2-hydroperoxy-3-methylbut-3-en-1-yl]-7-methoxychromen-2-one
methyl 4-hydroxy-2-{[(3-phenylprop-2-enoyl)oxy]methyl}but-2-enoate
methyl (4ar,7s,7ar)-4a,7-dimethyl-4,6-dioxo-5h,7h,8h-indeno[5,6-b]furan-7a-carboxylate
6-[(2r)-2-hydroperoxy-3-methylbut-3-en-1-yl]-7-methoxychromen-2-one
4-{5-[(1z)-2-carboxy-2-methyleth-1-en-1-yl]furan-3-yl}cyclohex-1-ene-1-carboxylic acid
(2r,3r)-8-hydroxy-3-(hydroxymethyl)-2,3,9-trimethyl-2h-furo[3,2-c]chromen-4-one
(1r,3s,5s,10s,11s)-5-hydroxy-3,7,12-trimethyl-2,9-dioxatetracyclo[9.3.0.0¹,³.0⁶,¹⁰]tetradeca-6,12-diene-8,14-dione
(8s)-8-(2-hydroxypropan-2-yl)-5-methoxy-8h,9h-furo[2,3-h]chromen-2-one
8-(2-hydroxypropan-2-yl)-5-methoxy-8h,9h-furo[2,3-h]chromen-2-one
(3ar,4s,9ar,9br)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
(e)-({[(1s,2r,3r)-1-carboxy-2-hydroxy-1,4-dimethylpentan-3-yl]-c-hydroxycarbonimidoyl}methylidene)(methoxy)oxidoazanium
(3r,4s,4as)-4,8,9-trihydroxy-3,4a-dimethyl-3,4-dihydro-2h-xanthen-1-one
methyl 2-{[4-(formyloxy)phenyl]methylidene}-4-methyl-3-oxopentanoate
8-(3,4-dihydroxy-3-methylbut-1-en-1-yl)-7-methoxychromen-2-one
7-{[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]oxy}-6-methoxychromen-2-one
methyl (2e)-4-hydroxy-2-({[(2e)-3-phenylprop-2-enoyl]oxy}methyl)but-2-enoate
5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-en-1-yl)-2-methylchromen-4-one
5,7-dihydroxy-6-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-2-methylchromen-4-one
(3as,4r,4as,9as)-4-hydroxy-5-(hydroxymethyl)-8-methyl-3-methylidene-3ah,4h,4ah,9h,9ah-azuleno[6,5-b]furan-2,7-dione
7-[(4-hydroxy-3-methylbut-2-en-1-yl)oxy]-6-methoxychromen-2-one
1-methyl-5-{9h-pyrido[3,4-b]indole-1-carbonyl}imidazole
(1s,3s,6s,10r,11s)-3,11-dimethyl-7-methylidene-2,9,12-trioxatetracyclo[9.4.0.0¹,³.0⁶,¹⁰]pentadec-14-ene-8,13-dione
(1s,2s,3r)-2,8-dihydroxy-1-(hydroxymethyl)-3-methyl-1,2,3,4-tetrahydroxanthen-9-one
methyl 8-(acetyloxy)-2,2-dimethylchromene-6-carboxylate
8-[(1z,3s)-3,4-dihydroxy-3-methylbut-1-en-1-yl]-7-methoxychromen-2-one
2-(4-hydroxyphenyl)ethyl 2-(4-oxo-5,6-dihydropyran-3-yl)acetate
8-hydroxy-3-(hydroxymethyl)-2,3,9-trimethyl-2h-furo[3,2-c]chromen-4-one
2-[(2r,3r)-5-acetyl-3-hydroxy-2,3-dihydro-1-benzofuran-2-yl]prop-2-en-1-yl acetate
4,8,9-trihydroxy-3,4a-dimethyl-3,4-dihydro-2h-xanthen-1-one
7,8-dihydroxy-6-methoxy-5-(3-methylbut-2-en-1-yl)chromen-2-one
(1s)-6,8-dihydroxy-1-methyl-5-(3-methylbut-2-en-1-yl)-1h-isochromene-3,7-dione
(1r,4s,6s,13r,14r)-6,11-dimethyl-5,9,15,17-tetraoxapentacyclo[11.2.2.0¹,¹⁴.0⁴,⁶.0⁸,¹²]heptadeca-8(12),10-dien-16-one
(3r)-3-[(3-{[(3r)-3-hydroxybutanoyl]oxy}butanoyl)oxy]butanoic acid
8-(1-hydroxy-3-methyl-2-oxobutyl)-7-methoxychromen-2-one
(1r,3r,4as,5r,7s,7as)-3,4a,5-trihydroxy-1-methoxy-7-methyl-hexahydrocyclopenta[c]pyran-7-yl acetate
(1'r,2r,5'r,8'r)-3',4'-dimethyl-11'-oxo-10'-oxaspiro[oxirane-2,12'-tricyclo[6.4.0.0¹,⁵]dodecane]-3',6'-diene-7'-carboxylic acid
4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-6-oxocyclohex-1-ene-1-carboxylic acid
8-[(2s,3s)-3-(2-hydroxypropan-2-yl)oxiran-2-yl]-7-methoxychromen-2-one
2-hydroxy-4,8,8-trimethyl-4h,9h,10h-pyrano[3,2-f]isochromene-5,6-dione
2-(6-acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)prop-2-en-1-yl acetate
3-(3-hydroxy-2-methoxy-5-methylphenoxy)-5-methylbenzene-1,2-diol
5,5-dimethyl-11,13-dioxatetracyclo[7.6.0.0¹,¹².0²,⁷]pentadec-2(7)-ene-3,8,14-trione
(2s,3r,4s,5r,6r)-2-{[(1r,4r)-4-hydroxy-1-methylcyclopent-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
4-[4-methyl-5-(4-methylfuran-2-yl)-5-oxopent-3-en-1-yl]-2,6-dioxabicyclo[3.1.0]hexan-3-one
8-[(1r,2s)-1,2-dihydroxy-3-methylbut-3-en-1-yl]-7-methoxychromen-2-one
9-hydroxy-10-methoxy-8,8-dimethyl-9h,10h-pyrano[2,3-h]chromen-2-one
5-hydroxy-3,7,12-trimethyl-2,9-dioxatetracyclo[9.3.0.0¹,³.0⁶,¹⁰]tetradeca-6,12-diene-8,14-dione
5-acetyl-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-3-yl acetate
(1r,2r,6s,8e,11s)-11-hydroxy-8-methyl-3-methylidene-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-8,12(15)-diene-4,13-dione
(1r,2r)-2-hydroxy-2-[(2r)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl acetate
8-[(1z,3r)-3,4-dihydroxy-3-methylbut-1-en-1-yl]-7-methoxychromen-2-one
(6s,8r)-6,10,11-trihydroxy-4,8,12-trimethyl-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),4,9(13),10-tetraen-3-one
8-{[(2s)-3,3-dimethyloxiran-2-yl]methoxy}-7-methoxychromen-2-one
4-{5-[(1e)-2-carboxy-2-methyleth-1-en-1-yl]furan-3-yl}cyclohex-1-ene-1-carboxylic acid
4-[(1r)-1-hydroxy-3-methylbutyl]-2h-[1,3]dioxolo[4,5-g]chromen-6-one
(2r,3s,4s)-5-[(5-amino-2,6-dihydroxypyrimidin-4-yl)amino]pentane-1,2,3,4-tetrol
C9H16N4O6 (276.10697960000005)