Exact Mass: 244.0978
Exact Mass Matches: 244.0978
Found 500 metabolites which its exact mass value is equals to given mass value 244.0978,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Osthol
Osthol, also known as 7-methoxy-8-(3-methylpent-2-enyl)coumarin, belongs to coumarins and derivatives class of compounds. Those are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Osthol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Osthol can be found in a number of food items such as wild celery, lemon, parsley, and wild carrot, which makes osthol a potential biomarker for the consumption of these food products. Osthol is an O-methylated coumarin. It is a calcium channel blocker, found in plants such as Cnidium monnieri, Angelica archangelica and Angelica pubescens . Osthole is a member of coumarins and a botanical anti-fungal agent. It has a role as a metabolite. Osthole is a natural product found in Murraya alata, Pentaceras australe, and other organisms with data available. See also: Angelica pubescens root (part of). D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D007155 - Immunologic Factors Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells. Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells. Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells.
Linderalactone
Isolinderalactone is a member of benzofurans. It has a role as a metabolite. Isolinderalactone is a natural product found in Neolitsea villosa, Neolitsea hiiranensis, and other organisms with data available. A natural product found in Neolitsea daibuensis. Linderalactone is a natural product found in Neolitsea umbrosa, Neolitsea villosa, and other organisms with data available. Isolinderalactone suppresses human glioblastoma growth and angiogenic activity through the inhibition of VEGFR2 activation in endothelial cells[1]. Isolinderalactone suppresses the expression of B-cell lymphoma 2 (Bcl-2), survi Isolinderalactone suppresses human glioblastoma growth and angiogenic activity through the inhibition of VEGFR2 activation in endothelial cells[1]. Isolinderalactone suppresses the expression of B-cell lymphoma 2 (Bcl-2), survi Linderalactone is an important sesquiterpene lactone isolated from Lindera aggregata. Linderalactone inhibits cancer growth by modulating the expression of apoptosis-related proteins and inhibition of JAK/STAT signalling pathway. Linderalactone also inhibits the proliferation of the lung cancer A-549 cells with an IC50 of 15 μM[1][2]. Linderalactone is an important sesquiterpene lactone isolated from Lindera aggregata. Linderalactone inhibits cancer growth by modulating the expression of apoptosis-related proteins and inhibition of JAK/STAT signalling pathway. Linderalactone also inhibits the proliferation of the lung cancer A-549 cells with an IC50 of 15 μM[1][2].
Biotin
Biotin (also known as vitamin B7 or vitamin H) is one of the B vitamins.[1][2][3] It is involved in a wide range of metabolic processes, both in humans and in other organisms, primarily related to the utilization of fats, carbohydrates, and amino acids.[4] The name biotin, borrowed from the German Biotin, derives from the Ancient Greek word βίοτος (bíotos; 'life') and the suffix "-in" (a suffix used in chemistry usually to indicate 'forming').[5] Biotin appears as a white, needle-like crystalline solid.[6] Biotin is an organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins. It has a role as a prosthetic group, a coenzyme, a nutraceutical, a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a mouse metabolite, a cofactor and a fundamental metabolite. It is a member of biotins and a vitamin B7. It is a conjugate acid of a biotinate. A water-soluble, enzyme co-factor present in minute amounts in every living cell. It occurs mainly bound to proteins or polypeptides and is abundant in liver, kidney, pancreas, yeast, and milk. Biotin is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Biotin is a natural product found in Lysinibacillus sphaericus, Aspergillus nidulans, and other organisms with data available. Biotin is hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanoic acid. Growth factor present in minute amounts in every living cell. It occurs mainly bound to proteins or polypeptides and is abundant in liver, kidney, pancreas, yeast, and milk. The biotin content of cancerous tissue is higher than that of normal tissue. Biotin is an enzyme co-factor present in minute amounts in every living cell. Biotin is also known as vitamin H or B7 or coenzyme R. It occurs mainly bound to proteins or polypeptides and is abundant in liver, kidney, pancreas, yeast, and milk. Biotin has been recognized as an essential nutrient. Our biotin requirement is fulfilled in part through diet, through endogenous reutilization of biotin and perhaps through capture of biotin generated in the intestinal flora. The utilization of biotin for covalent attachment to carboxylases and its reutilization through the release of carboxylase biotin after proteolytic degradation constitutes the biotin cycle. Biotin deficiency is associated with neurological manifestations, skin rash, hair loss and metabolic disturbances that are thought to relate to the various carboxylase deficiencies (metabolic ketoacidosis with lactic acidosis). It has also been suggested that biotin deficiency is associated with protein malnutrition, and that marginal biotin deficiency in pregnant women may be teratogenic. Biotin acts as a carboxyl carrier in carboxylation reactions. There are four biotin-dependent carboxylases in mammals: those of propionyl-CoA (PCC), 3-methylcrotonyl-CoA (MCC), pyruvate (PC) and acetyl-CoA carboxylases (isoforms ACC-1 and ACC-2). All but ACC-2 are mitochondrial enzymes. The biotin moiety is covalently bound to the epsilon amino group of a Lysine residue in each of these carboxylases in a domain 60-80 amino acids long. The domain is structurally similar among carboxylases from bacteria to mammals. There are four biotin-dependent carboxylases in mammals: those of propionyl-CoA (PCC), 3-methylcrotonyl-CoA (MCC), pyruvate (PC) and acetyl-CoA carboxylases (isoforms ACC-1 and ACC-2). All but ACC-2 are mitochondrial enzymes. The biotin moiety is covalently bound to the epsilon amino group of a Lys residue in each of these carboxylases in a domain 60-80 amino acids long. The domain is structurally similar among carboxylases from bacteria to mammals. Evidence is emerging that biotin participates in processes other than classical carboxylation reactions. Specifically, novel roles for biotin in cell signaling, gene expression, and chromatin structure have been identified in recent years. Human cells accumulate biotin by using both the sodium-dependent multivitamin transporter and monocarboxylate transporter 1. These transporters and other biotin-binding proteins partition biotin to compartments involved in biotin signaling: cytoplasm, mitochondria, and nuclei. The activity of cell signals such as biotinyl-AMP, Sp1 and Sp3, nuclear factor (NF)-kappaB, and receptor tyrosine kinases depends on biotin supply. Consistent with a role for biotin and its catabolites in ... Biotin is an enzyme co-factor present in minute amounts in every living cell. Biotin is also known as coenzyme R and vitamin H or B7. It occurs mainly bound to proteins or polypeptides and is abundant in liver, kidney, pancreas, yeast, and milk. Biotin has been recognized as an essential nutrient. Humans fulfill their biotin requirement through their diet through endogenous reutilization of biotin and perhaps through the capture of biotin generated in the intestinal flora. The utilization of biotin for covalent attachment to carboxylases and its reutilization through the release of carboxylase biotin after proteolytic degradation constitutes the biotin cycle. Biotin deficiency is associated with neurological manifestations, skin rash, hair loss, and metabolic disturbances that are thought to relate to the various carboxylase deficiencies (metabolic ketoacidosis with lactic acidosis). It has also been suggested that biotin deficiency is associated with protein malnutrition, and that marginal biotin deficiency in pregnant women may be teratogenic. Biotin acts as a carboxyl carrier in carboxylation reactions. There are four biotin-dependent carboxylases in mammals: those of propionyl-CoA (PCC), 3-methylcrotonyl-CoA (MCC), pyruvate (PC), and acetyl-CoA carboxylases (isoforms ACC-1 and ACC-2). All but ACC-2 are mitochondrial enzymes. The biotin moiety is covalently bound to the epsilon amino group of a lysine residue in each of these carboxylases in a domain 60-80 amino acids long. The domain is structurally similar among carboxylases from bacteria to mammals. Evidence is emerging that biotin participates in processes other than classical carboxylation reactions. Specifically, novel roles for biotin in cell signalling, gene expression, and chromatin structure have been identified in recent years. Human cells accumulate biotin by using both the sodium-dependent multivitamin transporter and monocarboxylate transporter 1. These transporters and other biotin-binding proteins partition biotin to compartments involved in biotin signalling: cytoplasm, mitochondria, and nuclei. The activity of cell signals such as biotinyl-AMP, Sp1 and Sp3, nuclear factor (NF)-kappaB, and receptor tyrosine kinases depends on biotin supply. Consistent with a role for biotin and its catabolites in modulating these cell signals, greater than 2000 biotin-dependent genes have been identified in various human tissues. Many biotin-dependent gene products play roles in signal transduction and localize to the cell nucleus, consistent with a role for biotin in cell signalling. Posttranscriptional events related to ribosomal activity and protein folding may further contribute to the effects of biotin on gene expression. Finally, research has shown that biotinidase and holocarboxylase synthetase mediate covalent binding of biotin to histones (DNA-binding proteins), affecting chromatin structure; at least seven biotinylation sites have been identified in human histones. Biotinylation of histones appears to play a role in cell proliferation, gene silencing, and the cellular response to DNA repair. Roles for biotin in cell signalling and chromatin structure are consistent with the notion that biotin has a unique significance in cell biology (PMID: 15992684, 16011464). Present in many foods; particularly rich sources include yeast, eggs, liver, certain fish (e.g. mackerel, salmon, sardines), soybeans, cauliflower and cow peas. Dietary supplement. Isolated from various higher plant sources, e.g. sweet corn seedlings and radish leaves An organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins. [Raw Data] CB004_Biotin_pos_50eV_CB000006.txt [Raw Data] CB004_Biotin_pos_30eV_CB000006.txt [Raw Data] CB004_Biotin_pos_40eV_CB000006.txt [Raw Data] CB004_Biotin_pos_20eV_CB000006.txt [Raw Data] CB004_Biotin_pos_10eV_CB000006.txt [Raw Data] CB004_Biotin_neg_10eV_000006.txt [Raw Data] CB004_Biotin_neg_20eV_000006.txt Biosynthesis Biotin, synthesized in plants, is essential to plant growth and development.[22] Bacteria also synthesize biotin,[23] and it is thought that bacteria resident in the large intestine may synthesize biotin that is absorbed and utilized by the host organism.[18] Biosynthesis starts from two precursors, alanine and pimeloyl-CoA. These form 7-keto-8-aminopelargonic acid (KAPA). KAPA is transported from plant peroxisomes to mitochondria where it is converted to 7,8-diaminopelargonic acid (DAPA) with the help of the enzyme, BioA. The enzyme dethiobiotin synthetase catalyzes the formation of the ureido ring via a DAPA carbamate activated with ATP, creating dethiobiotin with the help of the enzyme, BioD, which is then converted into biotin which is catalyzed by BioB.[24] The last step is catalyzed by biotin synthase, a radical SAM enzyme. The sulfur is donated by an unusual [2Fe-2S] ferredoxin.[25] Depending on the species of bacteria, Biotin can be synthesized via multiple pathways.[24] Biotin (Vitamin B7) is a water-soluble B vitamin and serves as a coenzyme for five carboxylases in humans, involved in the synthesis of fatty acids, isoleucine, and valine, and in gluconeogenesis. Biotin is necessary for cell growth, the production of fatty acids, and the metabolism of fats and amino acids[1][2][3]. Biotin, vitamin B7 and serves as a coenzyme for five carboxylases in humans, involved in the synthesis of fatty acids, isoleucine, and valine, and in gluconeogenesis. Biotin is necessary for cell growth, the production of fatty acids, and the metabolism of fats and amino acids[1][2][3]. Biotin (Vitamin B7) is a water-soluble B vitamin and serves as a coenzyme for five carboxylases in humans, involved in the synthesis of fatty acids, isoleucine, and valine, and in gluconeogenesis. Biotin is necessary for cell growth, the production of fatty acids, and the metabolism of fats and amino acids[1][2][3].
Flurbiprofen
Flurbiprofen, a propionic acid derivative, is a nonsteroidal anti-inflammatory agent (NSAIA) with antipyretic and analgesic activity. Oral formulations of flurbiprofen may be used for the symptomatic treatment of rheumatoid arthritis, osteoarthritis and anklylosing spondylitis. Flurbiprofen may also be used topically prior to ocular surgery to prevent or reduce intraoperative miosis. Flurbiprofen is structurally and pharmacologically related to fenoprofen, ibuprofen, and ketoprofen. M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Batatasin IV
Batatasin IV is found in root vegetables. Batatasin IV is a constituent of the bulbs of Dioscorea batatus (Chinese yam)
Batatasin III
Batatasin III is a stilbenoid. batatasin III is a natural product found in Bulbophyllum reptans, Cymbidium aloifolium, and other organisms with data available. Batatasin III is found in root vegetables. Batatasin III is a constituent of Dioscorea batatas (Chinese yam) Batatasin III, a stilbenoid, inhibits cancer migration and invasion by suppressing epithelial to mesenchymal transition (EMT) and FAK-AKT signals. Batatasin III has anti-cancer activities[1]. Batatasin III, a stilbenoid, inhibits cancer migration and invasion by suppressing epithelial to mesenchymal transition (EMT) and FAK-AKT signals. Batatasin III has anti-cancer activities[1]. Batatasin III, a stilbenoid, inhibits cancer migration and invasion by suppressing epithelial to mesenchymal transition (EMT) and FAK-AKT signals. Batatasin III has anti-cancer activities[1].
(2S,4S)-Pinnatanine
(2S,4S)-Pinnatanine is found in root vegetables. (2S,4S)-Pinnatanine is a constituent of Hemerocallis fulva (day lily)
threo-Syringoylglycerol
erythro-Syringoylglycerol is found in alcoholic beverages. erythro-Syringoylglycerol is a constituent of the roots of Coix lachryma-jobi (Jobs tears)
3-(1,1-Dimethylallyl)herniarin
3-(1,1-Dimethylallyl)herniarin is found in herbs and spices. 3-(1,1-Dimethylallyl)herniarin is a constituent of Ruta graveolens (rue)
Glandulone B
Glandulone B is found in fats and oils. Glandulone B is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). Glandulone B is found in fats and oils.
5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran
5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran is found in beverages. 5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran is a constituent of a fungus obtained from wintergreen (Gaultheria procumbens)
Prolyl-Glutamate
Prolyl-Glutamate is a dipeptide composed of proline 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.
Glutamylproline
Glutamylproline is a dipeptide composed of glutamate and proline, 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. Glutamylproline 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.
Hydroxyprolylhydroxyproline
Hydroxyprolylhydroxyproline is a dipeptide composed of of two hydroxyproline residues. 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.
gamma-Glutamylproline
gamma-Glutamylproline is a dipeptide composed of gamma-glutamate and proline, 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-Glutamylproline 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-Glutamylproline is a biomarker for the consumption of beer.
3'-DEOXY-3'-FLUOROTHYMIDINE
D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D000890 - Anti-Infective Agents > D000998 - Antiviral Agents
Amidephrine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
Suberosin
Suberosin, also known as 7-methoxy-6-prenylcoumarin, belongs to coumarins and derivatives class of compounds. Those are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Suberosin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Suberosin can be found in lemon, mandarin orange (clementine, tangerine), and sweet orange, which makes suberosin a potential biomarker for the consumption of these food products. Suberosin, isolated from Plumbago zeylanica, exhibits anti-inflammatory and anticoagulant activity. Suberosin suppresses PHA-induced PBMC proliferation and arrested cell cycle progression from the G1 transition to the S phase through the modulation of the transcription factors NF-AT and NF-κB[1][2]. Suberosin, isolated from Plumbago zeylanica, exhibits anti-inflammatory and anticoagulant activity. Suberosin suppresses PHA-induced PBMC proliferation and arrested cell cycle progression from the G1 transition to the S phase through the modulation of the transcription factors NF-AT and NF-κB[1][2].
Suberosin
Suberosin is a member of the class of coumarins in which the coumarin ring is substituted at positions 6 and 7 by a 3-methylbut-2-en-1-yl group and a methoxy group, respectively. A natural product found in Citropsis articulata. It has a role as a plant metabolite and an anticoagulant. It is a member of coumarins and an aromatic ether. It is functionally related to a 7-demethylsuberosin. Suberosin is a natural product found in Zanthoxylum ovalifolium, Prangos bucharica, and other organisms with data available. A member of the class of coumarins in which the coumarin ring is substituted at positions 6 and 7 by a 3-methylbut-2-en-1-yl group and a methoxy group, respectively. A natural product found in Citropsis articulata. Suberosin, isolated from Plumbago zeylanica, exhibits anti-inflammatory and anticoagulant activity. Suberosin suppresses PHA-induced PBMC proliferation and arrested cell cycle progression from the G1 transition to the S phase through the modulation of the transcription factors NF-AT and NF-κB[1][2]. Suberosin, isolated from Plumbago zeylanica, exhibits anti-inflammatory and anticoagulant activity. Suberosin suppresses PHA-induced PBMC proliferation and arrested cell cycle progression from the G1 transition to the S phase through the modulation of the transcription factors NF-AT and NF-κB[1][2].
Tensyuic acid F
A tensyuic acid that is itaconic acid which has been substituted at position 3 by a 3-(ethoxycarbonyl)propyl group. The (-)-isomer, isolated from Aspergillus niger FKI-2342.
Lumiyomogin
dehydroleucodin
Dehydroleucodine is a natural product found in Eupatorium capillifolium, Podachaenium eminens, and other organisms with data available.
Chloranthalactone B
Chloranthalactone B is a natural product found in Chloranthus serratus and Sarcandra glabra with data available.
[3aR-(3aalpha,4aalpha,7aalpha,9abeta)]-Octahydro-3,5,8-tris(methylene)-azuleno[6,5-b]furan-2,6(3H,4H)-dione
(-)-Yomogin
Tensyuic acid A
A tensyuic acid that is itaconic acid which has been substituted at position 3 by a 3-(methoxycarbonyl)propyl group and in which the non-conjugated carboxy group has been converted to the corresponding methyl ester. The (+)-isomer, isolated from Aspergillus niger FKI-2342.
Dehydrobrachylaenolide
isolinderalactone
Isolinderalactone suppresses human glioblastoma growth and angiogenic activity through the inhibition of VEGFR2 activation in endothelial cells[1]. Isolinderalactone suppresses the expression of B-cell lymphoma 2 (Bcl-2), survi Isolinderalactone suppresses human glioblastoma growth and angiogenic activity through the inhibition of VEGFR2 activation in endothelial cells[1]. Isolinderalactone suppresses the expression of B-cell lymphoma 2 (Bcl-2), survi
7-methoxyplatyphyllide|8-isopropenyl-3-methoxy-6,7,8,8a-tetrahydro-naphtho[1,8-bc]furan-2-one
E-werneria chromene|Me ester-3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-2-propenoic acid|Werneria chromene
(3aS,5aS,9bS)-5a,9-dimethyl-3-methylene-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione|11,13-dehydrosantonin|3-oxo-6betaH-eudesma-1,4,11-trien-6,12-olide|3-oxo-7alphaH,6betaH-eudesma-1,4,11-trien-6,12-olide|3-oxoeudesm-6betaH-1,4,11-trien-6,13-olide|3-oxoeudesma-1,4,11(13)-trien-12,6alpha-olide|6beta,7alphaH-3-oxoeudesma-1(2),4(5),11(13)-trien-12,6-olide
(5??,8??)-2-Oxo-1(10),3,7(11)-guaiatrien-12,8-olide
(+_)-1-(2,4-Dihydroxy-6-methylphenyl)-1-(4-hydroxyphenyl)ethane
(E)-3,5-Dimethyl-6-(3-pentenyl)-4,7-benzofurandione|2-(3-Pentenyl)-3,7-dimethylbenzofuran-1,4-dione|3,5-dimethyl-6-[(3E)-pent-3-en-1-yl]-1-benzofuran-4,7-dione
(1alpha,5alpha,6alpha)-form-15-Oxo-3,19(14),11(13)-guaiatrien-12,6-olide
1,8-dimethyl-5-hydroxymethyl-9-oxo-6,7,8,9-tetrahydronaphtho[2,1-b]furan|goldfussin A
(E)-4-methoxy-3-methyl-6-styryl-5,6-dihydro-2H-pyran-2-one|4-methoxy-3-methylgoniothalamin
(7S,8Z)-3-hydroxy-1,3,5,8,10-penten-9,15-bisabolanolide|abiesesquine A
Osthol
Osthole is a member of coumarins and a botanical anti-fungal agent. It has a role as a metabolite. Osthole is a natural product found in Murraya alata, Pentaceras australe, and other organisms with data available. See also: Angelica pubescens root (part of). A natural product found in Peucedanum ostruthium and Angelica pubescens. D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D007155 - Immunologic Factors Origin: Plant, Coumarins Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells. Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells. Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells.
(7R)-2-oxo-guaia-1(10),3(4),5(6),11(13)-tetraen-12-oic acid|2-((5R)-3,8-dimethyl-1-oxo-5,6,7-trihydroazulen-5-yl)prop-2-enoic acid|dehydroparishin-B
(1S,8aS)-1-(3-furyl)-5,8a-dimethyl-7,8-dihydro-1H-isochromen-3-one
3,8a-Dimethyl-5-methylene-2,4,4a,5,6,8a,9,9a-octahydronaphtho[2,3-b]furan-2,6-dione
7-(1,2-Dihydroxy-1-methylethyl)-4-methylazulene-1-carbaldehyde
(6alpha,8alpha)-8-Hydroxy-1(10),2,4,11(13)-guaiatetraen-12-6-olide
7-(2-phenylethenyl)-2,6-dioxabicyclo[3.3.1] nonan-3-one
(E)-4-(1,5-dimethyl-3-oxo-1,4-hexadienyl)benzoic acid
(E)-3-[2,3-dihydro-2-(1-methylethenyl)-5-benzofuranyl]-2-propenoic acid methyl ester|3-(2-isopropenyl-2,3H-benzofuran)propenoic acid|Me ester-3-(2,3-Dihydro-2-isopropenyl-5-benofuranyl)-2-propenoic acid
(5alpha,6alpha)-form-14-Oxo-1(10),3,11(13)-guaiatrien-12,6-olide
4-methoxy-3-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
(9aS)-9a-hydroxy-3,5,8-trimethyl-9,9a-dihydronaphtho[2,3-b]furan-2(4H)-one|myrrhanolide A
furanoeremophil-3-en-15,6alpha-olide|furoeremophil-3-en-14,6alpha-olide|fuuranoeremophil-3-en-14,6alpha-olide
4beta-carbomethoxy-6beta,8beta-dihydroxy-8alpha-methyliridolactone|shanzhilactone
3-Pyrimidin-2-yl-2-pyrimidin-2-ylmethyl-propionic acid
Epicar
Pilocarpine hydrochloride is the hydrochloride salt of (+)-pilocarpine, a medication used to treat increased pressure inside the eye and dry mouth. It contains a (+)-pilocarpine. Pilocarpine Hydrochloride is the hydrochloride salt of a natural alkaloid extracted from plants of the genus Pilocarpus with cholinergic agonist activity. As a cholinergic parasympathomimetic agent, pilocarpine predominantly binds to muscarinic receptors, thereby inducing exocrine gland secretion and stimulating smooth muscle in the bronchi, urinary tract, biliary tract, and intestinal tract. When applied topically to the eye, this agent stimulates the sphincter pupillae to contract, resulting in miosis; stimulates the ciliary muscle to contract, resulting in spasm of accomodation; and may cause a transitory rise in intraocular pressure followed by a more persistent fall due to opening of the trabecular meshwork and an increase in the outflow of aqueous humor. A slowly hydrolyzed muscarinic agonist with no nicotinic effects. Pilocarpine is used as a miotic and in the treatment of glaucoma. See also: Pilocarpine (has active moiety); Betaxolol hydrochloride; pilocarpine hydrochloride (component of). D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist
Biotin
A - Alimentary tract and metabolism > A11 - Vitamins D018977 - Micronutrients > D014815 - Vitamins CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2876; ORIGINAL_PRECURSOR_SCAN_NO 2873 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2877; ORIGINAL_PRECURSOR_SCAN_NO 2875 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2896; ORIGINAL_PRECURSOR_SCAN_NO 2894 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2875; ORIGINAL_PRECURSOR_SCAN_NO 2872 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2894; ORIGINAL_PRECURSOR_SCAN_NO 2891 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2908; ORIGINAL_PRECURSOR_SCAN_NO 2906 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6231; ORIGINAL_PRECURSOR_SCAN_NO 6229 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6248; ORIGINAL_PRECURSOR_SCAN_NO 6246 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6251; ORIGINAL_PRECURSOR_SCAN_NO 6246 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6253; ORIGINAL_PRECURSOR_SCAN_NO 6251 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6265; ORIGINAL_PRECURSOR_SCAN_NO 6263 CONFIDENCE standard compound; INTERNAL_ID 1328; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6256; ORIGINAL_PRECURSOR_SCAN_NO 6253 CONFIDENCE standard compound; INTERNAL_ID 219 INTERNAL_ID 219; CONFIDENCE standard compound relative retention time with respect to 9-anthracene Carboxylic Acid is 0.474 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.471 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.469 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.470 Biotin (Vitamin B7) is a water-soluble B vitamin and serves as a coenzyme for five carboxylases in humans, involved in the synthesis of fatty acids, isoleucine, and valine, and in gluconeogenesis. Biotin is necessary for cell growth, the production of fatty acids, and the metabolism of fats and amino acids[1][2][3]. Biotin, vitamin B7 and serves as a coenzyme for five carboxylases in humans, involved in the synthesis of fatty acids, isoleucine, and valine, and in gluconeogenesis. Biotin is necessary for cell growth, the production of fatty acids, and the metabolism of fats and amino acids[1][2][3]. Biotin (Vitamin B7) is a water-soluble B vitamin and serves as a coenzyme for five carboxylases in humans, involved in the synthesis of fatty acids, isoleucine, and valine, and in gluconeogenesis. Biotin is necessary for cell growth, the production of fatty acids, and the metabolism of fats and amino acids[1][2][3].
5,6-dihydrothymidine
A pyrimidine 2-deoxyribonucleoside having dihydrothymine as the nucleobase. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.064 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.060 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.061
flurbiprofen
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
methyl (E)-3-(2,2-dimethylchromen-6-yl)prop-2-enoate
7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one
7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol
Esflurbiprofen
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Tarenflurbil
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D004791 - Enzyme Inhibitors > D000091062 - Gamma Secretase Inhibitors and Modulators C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor
(2S,4S)-Pinnatanine
5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran
Lodosyn
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D065105 - Aromatic Amino Acid Decarboxylase Inhibitors C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents
2-(diethylamino)-6-methylpyridine-4-carboxylic acid,hydrochloride
5-THIOPHEN-2-YL-1,2,3,4,5,6-HEXAHYDRO-[2,4]BIPYRIDINYL
2-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid
METHYL 6-FLUORO-4-METHYL-[1,1-BIPHENYL]-3-CARBOXYLATE
4-AMINO-2-(3-PYRIDINYL)-5-PYRIMIDINECARBOXYLIC ACID ETHYL ESTER
Pyrrolo[2,1-b]quinazoline-6-carboxylic acid, 1,2,3,9-tetrahydro-9-oxo-, hydrazide (9CI)
(E)-(1,2-difluoro-1,2-ethendiyl)-bis-[4-methylbenzene]
N1-Benzyloxycarbonyl-1,3-diaminopropane hydrochloride
4-CHLORO-1-METHYL-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
6-methyl-2-[2-[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazinyl]-1H-pyrimidin-4-one
4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one
Alovudine
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent Alovudine (3'-Fluoro-3'-deoxythymidine) is a marker of DNA synthesis that is less susceptible to inflammatory changes than 18F-Fluorodeoxyglucose (FDG) and thus is a better biomarker in pancreatic cancer. Alovudine shows anti-orthopoxvirus activity[1][2].
1-(3-FLUORO-4-METHYLPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLICACID
chrysen-6-ol
A hydroxychrysene that is chrysene in which the hydrogen at position 6 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.
(1,3-Bis(methoxymethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid
(S)-1-(tert-Butoxycarbonyl)-5-oxopiperazine-2-carboxylic acid
4-PHENYL-3,4,5,6,7,8-HEXAHYDROQUINAZOLINE-2(1H)-THIONE
(3aR,8aS,9aR)-5,8a-Dimethyl-3-methylene-3a,8a,9,9a-tetrahydronaph tho[2,3-b]furan-2,6(3H,4H)-dione
DIENDO-3-BENZOYLBICYCLO[2.2.1!HEPTANE-2-CARBOXYLIC ACID
3-Benzylidene-2-oxo-cyclopentanecarboxylic acid ethyl ester
Benzyl [(2R)-2-aminopropyl]carbamate hydrochloride (1:1)
5-AMINO-N-(2-HYDROXYETHYL)-2,3-DIMETHYLBENZENESULFONAMIDE
2-methyl-N-[(2-methyl-1-oxopyridin-1-ium-4-ylidene)amino]-1-oxidopyridin-4-imine
4-(tert-Butoxycarbonyl)-6-oxopiperazine-2-carboxylic acid
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxopiperazine-2-carboxylic acid
3-Deoxy-3-(18F)fluorothymidine
D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate D000890 - Anti-Infective Agents > D000998 - Antiviral Agents
5-[(3AS,4R,6AR)-2-Oxohexahydro-1H-thieno[3,4-D]imidazol-4-YL]pentanoic acid
7-Methyl-5-(1-methylethyl)-2H-naphtho(1,8-bc)furan-3,4-diol
(alphaE)-2,2-Dimethyl-2H-1-benzopyran-6-acrylic acid methyl ester
Safrazine hydrochloride
C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
Benzo[c]phenanthren-3-ol
A hydroxybenzo[c]phenanthrene that is benzo[c]phenanthrene in which the hydrogen at position 3 has been replaced by a hydroxy group.
Benzo[c]phenanthren-1-ol
A hydroxybenzo[c]phenanthrene that is benzo[c]phenanthrene in which the hydrogen at position 1 has been replaced by a hydroxy group. A metabolite of benzo[c]phenanthrene.
Benzo[c]phenanthren-2-ol
A hydroxybenzo[c]phenanthrene that is benzo[c]phenanthrene in which the hydrogen at position 2 has been replaced by a hydroxy group. A metabolite of benzo[c]phenanthrene and a weak xenoestrogen.
5-(2-Oxo-1,3,3a,4,6,6a-hexahydrothieno(3,4-d)imidazol-4-yl)pentanoic acid
Pilocarpine
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist
Ostol
D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D007155 - Immunologic Factors Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells. Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells. Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells.
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methylazanium
1-Hydroxy-3,9-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
N-demethylindolmycin(1+)
An organic cation obtained by protonation at position 3 in the oxazole ring of N-demethylindolmycin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
3,11-Dimethyl-4,8,9,12-tetrahydro-6H-4,7-(metheno)furo[3,2-c]oxacycloundecin-6-one
2-[2-Oxo-2-[(2-oxoazepan-3-yl)amino]ethoxy]acetic acid
(2E)-2-(aminothioxomethyl)-3-(2,3,5,6-tetramethylphenyl)prop-2-enenitrile
3-Amino-8-methoxy-2-methyl-3,5-dihydro-pyrimido[5,4-b]indol-4-one
1-Naphthalenecarboxylic acid, trimethylsilyl ester
1-(2-Amino-4-carboxybutanoyl)pyrrolidine-2-carboxylic acid
Amidephrine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
chrysen-3-ol
A hydroxychrysene that is chrysene in which the hydrogen at position 3 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.
chrysen-2-ol
A hydroxychrysene that is chrysene in which the hydrogen at position 2 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.
tetraphen-1-ol
A member of the class of tetraphenes that is tetraphene in which the hydrogen at position 1 has been replaced by a hydroxy group. It is a urinary hydroxylated metabolite of tetraphene (benzo[a]anthracene).
chrysen-1-ol
A hydroxychrysene that is chrysene in which the hydrogen at position 1 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.
chrysen-4-ol
A hydroxychrysene that is chrysene in which the hydrogen at position 4 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.
3-[(2-aminoethyl)sulfanyl]-6-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
A beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carrying additional (2-aminoethyl)sulfanyl and methyl substituents at positions 3 and 6 respectively. An intermediate in the biosynthesis of carbapenem.
(3ar,4ar,7ar,9as)-3,5,8-trimethylidene-hexahydro-3ah-azuleno[6,5-b]furan-2,6-dione
(3r,3ar,9as)-3,5,8-trimethyl-3h,3ah,9h,9ah-azuleno[6,5-b]furan-2,7-dione
(1s)-7'-hydroxy-5'-methoxy-2',3'-dihydrospiro[cyclohexane-1,1'-inden]-2-en-4-one
(7ar,8s)-3,5,8-trimethyl-6h,7h,7ah,8h-azuleno[6,5-b]furan-4,9-dione
(1as,7s,7as)-7-hydroxy-1a-(3-methylbut-2-en-1-yl)-7h,7ah-naphtho[2,3-b]oxiren-2-one
3,6,9-trimethyl-5h,6h,6ah,7h-azuleno[4,5-b]furan-4,8-dione
(3ar,8as,9as)-5,8a-dimethyl-3-methylidene-3ah,4h,9h,9ah-naphtho[2,3-b]furan-2,6-dione
(3ar,4as,9ar)-5,8-dimethyl-3-methylidene-3ah,4h,4ah,9h,9ah-azuleno[6,5-b]furan-2,7-dione
methyl (1r,4as,5r,7s,7as)-1,5,7-trihydroxy-7-methyl-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
3-hydroxy-3-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)propyl acetate
2,7-dihydroxy-4-isopropyl-6-methylnaphthalene-1-carbaldehyde
6-(2-hydroxy-4-phenylbut-3-en-1-yl)-5,6-dihydropyran-2-one
5-methyl-4-[(3-methylbut-2-en-1-yl)oxy]chromen-2-one
(2s)-2-(4-ethoxy-4-oxobutyl)-3-methylidenebutanedioic acid
3,5a,9-trimethyl-3h,3ah,9bh-naphtho[1,2-b]furan-2,8-dione
1-hydroxy-5,5-dimethyl-1-phenylhepta-1,6-diene-3,4-dione
(1s,2s)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2,3-triol
7-(2-phenylethenyl)-2,6-dioxabicyclo[3.3.1]nonan-3-one
1-(furan-3-yl)-5,8a-dimethyl-7,8-dihydro-1h-isochromen-3-one
3-(2-hydroxypropan-2-yl)-5,8-dimethylnaphthalene-1,2-dione
(6s)-6-[(2r,3e)-2-hydroxy-4-phenylbut-3-en-1-yl]-5,6-dihydropyran-2-one
(3r,3ar,9ar,9br)-3,6,9-trimethyl-3h,3ah,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
2,3,3-trimethyl-2h,3ah,9bh-naphtho[1,2-b]furan-4,5-dione
(3s)-7-methoxy-3-(methoxycarbonyl)-2-methylidene-7-oxoheptanoic acid
7'-hydroxy-5'-methoxy-2',3'-dihydrospiro[cyclohexane-1,1'-inden]-2-en-4-one
1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)propane
{"Ingredient_id": "HBIN000655","Ingredient_name": "1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)propane","Alias": "NA","Ingredient_formula": "C15H16O3","Ingredient_Smile": "C1=CC(=CC=C1CCCC2=C(C=C(C=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6087","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
14-oxo-1(10),3,11(13)-guaiatrien-12,6-olide
{"Ingredient_id": "HBIN001543","Ingredient_name": "14-oxo-1(10),3,11(13)-guaiatrien-12,6-olide","Alias": "NA","Ingredient_formula": "C15H16O3","Ingredient_Smile": "NA","Ingredient_weight": "244.29","OB_score": "NA","CAS_id": "170591-58-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9312","PubChem_id": "NA","DrugBank_id": "NA"}
15-oxo-3,10(14),11(13)-guaiatrien-12,6-olide
{"Ingredient_id": "HBIN001715","Ingredient_name": "15-oxo-3,10(14),11(13)-guaiatrien-12,6-olide","Alias": "NA","Ingredient_formula": "C15H16O3","Ingredient_Smile": "NA","Ingredient_weight": "244.29","OB_score": "NA","CAS_id": "67667-79-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9294","PubChem_id": "NA","DrugBank_id": "NA"}
2-oxo-eremophil-1(10),7(11),8(9)-trien-12,8-olide
{"Ingredient_id": "HBIN006282","Ingredient_name": "2-oxo-eremophil-1(10),7(11),8(9)-trien-12,8-olide","Alias": "NA","Ingredient_formula": "C15H16O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16319","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-(4'-hydroxybenzyloxy)benzyl nethyl ether
{"Ingredient_id": "HBIN009960","Ingredient_name": "4-(4'-hydroxybenzyloxy)benzyl nethyl ether","Alias": "NA","Ingredient_formula": "C15H16O3","Ingredient_Smile": "COCC1=CC=C(C=C1)OCC2=CC=C(C=C2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31159","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-[[4-(methoxymethyl)phenoxy]methyl]phenol
{"Ingredient_id": "HBIN009964","Ingredient_name": "4-[[4-(methoxymethyl)phenoxy]methyl]phenol","Alias": "NA","Ingredient_formula": "C15H16O3","Ingredient_Smile": "NA","Ingredient_weight": "244.29","OB_score": "NA","CAS_id": "77182-71-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7871","PubChem_id": "NA","DrugBank_id": "NA"}
(5α,8α)-2-oxo-1(10),3,7(11)-guaiatrien-12,8-olide
{"Ingredient_id": "HBIN011389","Ingredient_name": "(5\u03b1,8\u03b1)-2-oxo-1(10),3,7(11)-guaiatrien-12,8-olide","Alias": "NA","Ingredient_formula": "C15H16O3","Ingredient_Smile": "CC1=C2C(CC3=C(C(=O)OC3C1)C)C(=CC2=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16329","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
