Exact Mass: 276.10313900000006
Exact Mass Matches: 276.10313900000006
Found 500 metabolites which its exact mass value is equals to given mass value 276.10313900000006,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Dihydromethysticin
Dihydromethysticin is found in beverages. Dihydromethysticin is isolated from Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002) Dihydromethysticin is one of the six major kavalactones found in the kava plant 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.
Hamaudol
Hamaudol is a member of chromenes. Hamaudol is a natural product found in Saposhnikovia divaricata, Angelica japonica, and other organisms with data available. Hamaudol is a chromone isolated from Saposhnikovia divaricata. Hamaudol shows significant inhibitory activity on cyclooxygenase (COX)-1 and COX-2 activities with IC50 values of 0.30, 0.57 mM, respectively, and has potent analgesia and anti-inflammary effects[1][2]. Hamaudol is a chromone isolated from Saposhnikovia divaricata. Hamaudol shows significant inhibitory activity on cyclooxygenase (COX)-1 and COX-2 activities with IC50 values of 0.30, 0.57 mM, respectively, and has potent analgesia and anti-inflammary effects[1][2].
Glutamylglutamic acid
Glutamylglutamic acid is a dipeptide composed of two glutamic acid residues, 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. Glutamylglutamic 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. KEIO_ID G043; [MS2] KO008970 KEIO_ID G043
Lactucin
Lactucin is found in chicory. Lactucin is a constituent of Cichorium intybus (chicory) Lactucin is a bitter substance that forms a white crystalline solid and belongs to the group of sesquiterpene lactones. It is found in some varieties of lettuce and is an ingredient of lactucarium. It has been shown to have analgesic and sedative properties Constituent of Cichorium intybus (chicory)
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).
Gamma-glutamylglutamate
gammaGlutamylglutamic acid is made of two glutamic acid molecules. Glutamic acid (Glu), also referred to as glutamate (the anion), is one of the 20 proteinogenic amino acids. It is not among the essential amino acids. Glutamate is a key molecule in cellular metabolism. In humans, dietary proteins are broken down by digestion into amino acids, which serves as metabolic fuel or other functional roles in the body. Glutamate is the most abundant fast excitatory neurotransmitter in the mammalian nervous system. At chemical synapses, glutamate is stored in vesicles. Nerve impulses trigger release of glutamate from the pre-synaptic cell. In the opposing post-synaptic cell, glutamate receptors, such as the NMDA receptor, bind glutamate and are activated. Because of its role in synaptic plasticity, it is believed that glutamic acid is involved in cognitive functions like learning and memory in the brain. Glutamate transporters are found in neuronal and glial membranes. They rapidly remove glutamate from the extracellular space. In brain injury or disease, they can work in reverse and excess glutamate can accumulate outside cells. This process causes calcium ions to enter cells via NMDA receptor channels, leading to neuronal damage and eventual cell death, and is called excitotoxicity. The mechanisms of cell death include: * Damage to mitochondria from excessively high intracellular Ca2+. * Glu/Ca2+-mediated promotion of transcription factors for pro-apoptotic genes, or downregulation of transcription factors for anti-apoptotic genes. Excitotoxicity due to glutamate occurs as part of the ischemic cascade and is associated with stroke and diseases like amyotrophic lateral sclerosis, lathyrism, and Alzheimers disease. glutamic acid has been implicated in epileptic seizures. Microinjection of glutamic acid into neurons produces spontaneous depolarization around one second apart, and this firing pattern is similar to what is known as paroxysmal depolarizing shift in epileptic attacks. This change in the resting membrane potential at seizure foci could cause spontaneous opening of voltage activated calcium channels, leading to glutamic acid release and further depolarization. (http://en.wikipedia.org/wiki/Glutamic_acid) [HMDB] gamma-Glutamylglutamic acid is a dipeptide composed of gamma-glutamate and glutamic acid. Glutamic acid (Glu), also referred to as glutamate (the anion), is one of the 20 proteinogenic amino acids. It is not among the essential amino acids. Glutamate is a key molecule in cellular metabolism. In humans, dietary proteins are broken down by digestion into amino acids, which serve as metabolic fuel and other functional roles in the body. Glutamate is the most abundant fast excitatory neurotransmitter in the mammalian nervous system. At chemical synapses, glutamate is stored in vesicles. Nerve impulses trigger release of glutamate from the pre-synaptic cell. In the opposing post-synaptic cell, glutamate receptors, such as the NMDA receptor, bind glutamate and are activated. Because of its role in synaptic plasticity, it is believed that glutamic acid is involved in cognitive functions like learning and memory in the brain. Glutamate transporters are found in neuronal and glial membranes. They rapidly remove glutamate from the extracellular space. In brain injury or disease, they can work in reverse and excess glutamate can accumulate outside cells. This process causes calcium ions to enter cells via NMDA receptor channels, leading to neuronal damage and eventual cell death, and is called excitotoxicity. The mechanisms of cell death include: (1) damage to mitochondria from excessively high intracellular Ca2+ (2) Glu/Ca2+-mediated promotion of transcription factors for pro-apoptotic genes, or downregulation of transcription factors for anti-apoptotic genes. Excitotoxicity due to glutamate occurs as part of the ischemic cascade and is associated with stroke and diseases like amyotrophic lateral sclerosis, lathyrism, and Alzheimers disease. Glutamic acid has been implicated in epileptic seizures. Microinjection of glutamic acid into neurons produce spontaneous depolarization around one second apart, and this firing pattern is similar to what is known as paroxysmal depolarizing shift in epileptic attacks. This change in the resting membrane potential at seizure foci could cause spontaneous opening of voltage activated calcium channels, leading to glutamic acid release and further depolarization (Wikipedia).
Pentalenolactone
A sesquiterpene lactone that is isolated from several Streptomyces species and exhibits antibiotic activity.
10-Acetoxytoxol
10-Acetoxytoxol is found in herbs and spices. 10-Acetoxytoxol is a constituent of Helichrysum italicum (curry plant)
Ascochitine
Causes brown rot in broad bean
6-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-7-methoxy-2H-chromen-2-one
3-(7-methoxy-2-oxo-2H-chromen-8-yl)-2,2-dimethylpropanoic acid
5-De-O-methyltoddanol
5-De-O-methyltoddanol is found in citrus. 5-De-O-methyltoddanol is a constituent of the stem bark of Citrus grandis (pummelo). Constituent of the stem bark of Citrus grandis (pummelo). 5-De-O-methyltoddanol is found in citrus.
Thymidine glycol
Thymidine glycol belongs to the family of Pyrimidine 2-deoxyribonucleosides and Analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.
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
2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-fluoroaniline
C15H17FN2S (276.10964140000004)
Creatine glutamate
C9H16N4O6 (276.10697960000005)
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.
7-(3,3-Dimethylallyloxy)-6-hydroxy-5-methoxycoumarin
6,7,9alpha-Trihydroxy-3,8,11alpha-trimethylcyclohexo[d,e]-coumarin
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
(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)-
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
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
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
Thymidine glycol
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
1-(tert-Butoxycarbonyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
ethyl 4-hydroxy-5,8-dimethoxynaphthalene-2-carboxylate
1-TERT-BUTYL 5-METHYL 1H-INDAZOLE-1,5-DICARBOXYLATE
[(2S)-1-(4-nitrophenyl)pyrrolidin-2-yl]methyl prop-2-enoate
1,2:3,4-Di-O-isopropylidene-6-thio-a-D-galactopyranose
C12H20O5S (276.10313900000006)
5-ethyl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
ETHYL 4-(2-HYDROXYPHENYL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
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
methyl 2-tert-butyl-5-nitro-1H-indole-7-carboxylate
2-acetamido-3-(6-Methoxy-1H-indol-3-yl)propanoic acid
1,1-[(E)-1,2-Difluoro-1,2-ethenediyl]bis(4-methoxybenzene)
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
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
TERT-BUTYL ((6-(TRIFLUOROMETHYL)PYRIDIN-2-YL)METHYL)CARBAMATE
((3aR,4S,5R,6aS)-5-hydroxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl benzoate
1-BENZYL-3-(TERT-BUTYL)-1H-PYRAZOLE-5-CARBONYL CHLORIDE
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
(5R,6R,7S,8S)-5-(Hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-A]pyridine-6,7,8-triol
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
2,3-Bis(acetylamino)-2,3-dideoxy-alpha-D-mannopyranuronic acid
(1S,4aR,9aS)-7,8-dimethyl-3-oxospiro[4,4a,6a,7-tetrahydropentaleno[6a,1-c]pyran-1,2-oxirane]-5-carboxylic acid
4-Amino-5-[2-[carbamimidoyl(methyl)amino]acetyl]peroxy-5-oxopentanoic acid
C9H16N4O6 (276.10697960000005)
5-methyl-3-(2-morpholino-2-oxoethyl)-1,3-benzoxazol-2(3H)-one
N-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
2-[2-Hydroxy-3-(3-hydroxyphenyl)propyl]benzene-1,3,5-triol
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.
gamma-Glu-Glu
A dipeptide obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of another glutamic acid.
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
(2s)-2-{[(2s)-2-amino-4-carboxy-1-hydroxybutylidene]amino}pentanedioic acid
(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
8-[(3,3-dimethyloxiran-2-yl)(hydroxy)methyl]-7-methoxychromen-2-one
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
(3r,4s,4as)-4,8,9-trihydroxy-3,4a-dimethyl-3,4-dihydro-2h-xanthen-1-one
3,6-dihydroxy-4,5-bis[(1-hydroxyethylidene)amino]oxane-2-carboxylic acid
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
8-(1-hydroxy-3-methyl-2-oxobutyl)-7-methoxychromen-2-one
(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
(2s)-2-{[(4s)-4-amino-4-carboxy-1-hydroxybutylidene]amino}pentanedioic 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
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)