Exact Mass: 294.2096
Exact Mass Matches: 294.2096
Found 500 metabolites which its exact mass value is equals to given mass value 294.2096,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gingerol
Gingerol is a beta-hydroxy ketone that is 5-hydroxydecan-3-one substituted by a 4-hydroxy-3-methoxyphenyl moiety at position 1; believed to inhibit adipogenesis. It is a constituent of fresh ginger. It has a role as an antineoplastic agent and a plant metabolite. It is a beta-hydroxy ketone and a member of guaiacols. Gingerol is a natural product found in Illicium verum, Piper nigrum, and other organisms with data available. See also: Ginger (part of). Gingerol, a plant polyphenol, is the active constituent of fresh ginger. Chemically, gingerol is a relative of capsaicin, the compound that gives chile peppers their spiciness. It is normally found as a pungent yellow oil, but also can form a low-melting crystalline solid. Constituent of ginger Zingiber officinale. (S)-[6]-Gingerol is found in many foods, some of which are caraway, star anise, cumin, and ginger. [6]-Gingerol is an active compound isolated from Ginger (Zingiber officinale), exhibits a variety of biological activities including anticancer, anti-inflammation, and anti-oxidation. [6]-Gingerol is an active compound isolated from Ginger (Zingiber officinale), exhibits a variety of biological activities including anticancer, anti-inflammation, and anti-oxidation. [6]-Gingerol is an active compound isolated from Ginger (Zingiber officinale), exhibits a variety of biological activities including anticancer, anti-inflammation, and anti-oxidation.
9-Oxo-ODE
9-OxoODE results from oxidation of the allylic hydroxyl of either 9(S)- or 9(R)-HODE. Rabbit reticulocyte plasma and mitochondrial membranes contain both 9- and 13-oxoODEs, representing about 2\\% of the total linoleate residues in the membranes. Most of these oxidized linoleate residues are esterified to membrane lipids. [HMDB] 9-OxoODE results from oxidation of the allylic hydroxyl of either 9(S)- or 9(R)-HODE. Rabbit reticulocyte plasma and mitochondrial membranes contain both 9- and 13-oxoODEs, representing about 2\\% of the total linoleate residues in the membranes. Most of these oxidized linoleate residues are esterified to membrane lipids.
13-HOTE
13-HOTE is a biologically active lipid molecule produced due to altered intestinal lipid metabolism indicative of Alox15 activity. (PMID: 18258795) [HMDB] 13-HOTE is a biologically active lipid molecule produced due to altered intestinal lipid metabolism indicative of Alox15 activity. (PMID: 18258795).
13-OxoODE
13-oxoODE is produced from 13-HODE by a NAD+-dependent dehydrogenase present in rat colonic mucosa. 13-OxoODE has been shown to stimulate cell proliferation when instilled intrarectally in rats. 13-OxoODE has also been detected in preparations of rabbit reticulocyte plasma and mitochondrial membranes, mostly esterified to phospholipids. Production of 13-oxoODE is putatively linked to the maturation of reticulocytes to erythrocytes through the activity of 15-LO. [HMDB] 13-oxoODE is produced from 13-HODE by a NAD+-dependent dehydrogenase present in rat colonic mucosa. 13-OxoODE has been shown to stimulate cell proliferation when instilled intrarectally in rats. 13-OxoODE has also been detected in preparations of rabbit reticulocyte plasma and mitochondrial membranes, mostly esterified to phospholipids. Production of 13-oxoODE is putatively linked to the maturation of reticulocytes to erythrocytes through the activity of 15-LO.
2-Hydroxylinolenic acid
2-Hydroxylinolenic acid is found in herbs and spices. 2-Hydroxylinolenic acid is a constituent of Thymus vulgaris (thyme) seed oil Constituent of Thymus vulgaris (thyme) seed oil. 2-Hydroxylinolenic acid is found in herbs and spices.
3-Oxo-2-(2-entenyl)cyclopentaneoctanoic acid
3-oxo-2-(2-entenyl)cyclopentaneoctanoic acid, also known as opc-8:0, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid. Thus, 3-oxo-2-(2-entenyl)cyclopentaneoctanoic acid is considered to be an octadecanoid lipid molecule. 3-oxo-2-(2-entenyl)cyclopentaneoctanoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3-oxo-2-(2-entenyl)cyclopentaneoctanoic acid can be found in common wheat, corn, eggplant, and flaxseed, which makes 3-oxo-2-(2-entenyl)cyclopentaneoctanoic acid a potential biomarker for the consumption of these food products.
(2'E,4'Z,8E)-Colneleic acid
Product of the enzymic oxidation of potato lipids. (2E,4Z,8E)-Colneleic acid is found in alcoholic beverages and potato. (2E,4Z,8E)-Colneleic acid is found in alcoholic beverages. Product of the enzymic oxidation of potato lipid
Proparacaine
Proparacaine is only found in individuals that have used or taken this drug. It is a topical anesthetic drug of the amino ester group. It is available as its hydrochloride salt in ophthalmic solutions at a concentration of 0.5\\%. [Wikipedia]The exact mechanism whereby proparacaine and other local anesthetics influence the permeability of the cell membrane is unknown; however, several studies indicate that local anesthetics may limit sodium ion permeability through the lipid layer of the nerve cell membrane. Proparacaine may alter epithelial sodium channels through interaction with channel protein residues. This limitation prevents the fundamental change necessary for the generation of the action potential. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics S - Sensory organs > S01 - Ophthalmologicals > S01H - Local anesthetics > S01HA - Local anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Propoxycaine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Phytuberin
Phytoalexin of potato tubers infected with Erwinia carotovora. Phytuberin is found in potato. Phytuberin is found in potato. Phytoalexin of potato tubers infected with Erwinia carotovor
Embelin
Embelin (Embelic acid), a potent, nonpeptidic XIAP inhibitor (IC50=4.1 μM), inhibits cell growth, induces apoptosis, and activates caspase-9 in prostate cancer cells with high levels of XIAP. Embelin blocks NF-kappaB signaling pathway leading to suppression of NF-kappaB-regulated antiapoptotic and metastatic gene products. Embelin also induces autophagic and apoptotic cell death in human oral squamous cell carcinoma cells[1][2][3]. Embelin (Embelic acid), a potent, nonpeptidic XIAP inhibitor (IC50=4.1 μM), inhibits cell growth, induces apoptosis, and activates caspase-9 in prostate cancer cells with high levels of XIAP. Embelin blocks NF-kappaB signaling pathway leading to suppression of NF-kappaB-regulated antiapoptotic and metastatic gene products. Embelin also induces autophagic and apoptotic cell death in human oral squamous cell carcinoma cells[1][2][3].
17-Hydroxylinolenic acid
17-Hydroxylinolenic acid is a hydroxylated (on the 17th carbon) version of alpha linolenic acid produced from alpha linolenic acid. Another isomer known as 2-hydroxylinolenic acid is also known to exist. Alpha-Linolenic acid is an organic compound found in many common vegetable oils. Systematically, it is named all-cis-9,12,15-octadecatrienoic acid (PMID:11413487). In physiological literature, it is given the name 18:3 (n−3). Alpha-linolenic acid is a carboxylic acid with an 18-carbon chain and three cis double bonds. The first double bond is located at the third carbon from the n end. Thus, α-linolenic acid is a polyunsaturated n−3 (omega-3) fatty acid. It is an isomer of γ-linolenic acid, a polyunsaturated n−6 (omega-6) fatty acid (PMID: 19269799). 17-hydroxylinolenic acid participates in alpha- Linolenic acid metabolism. 17-hydroxylinolenic acid is produced from alpha linolenic acid. Alpha-Linolenic acid is an organic compound found in many common vegetable oils. Systematically, it is named all-cis-9,12,15-octadecatrienoic acid.[1] In physiological literature, it is given the name 18:3 (n−3). Alpha-linolenic acid is a carboxylic acid with an 18-carbon chain and three cis double bonds. The first double bond is located at the third carbon from the n end. Thus, α-linolenic acid is a polyunsaturated n−3 (omega-3) fatty acid. It is an isomer of γ-linolenic acid, a polyunsaturated n−6 (omega-6) fatty acid. [HMDB]
juvenile hormone I
A member of the juvenile hormone family of compounds that is the methyl ester of methyl (2E,6E,10R,11S)-10,11-epoxy-7-ethyl-3,11-dimethyl-2,6-tridecanoic acid.
trimipramine
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators CONFIDENCE standard compound; EAWAG_UCHEM_ID 2861
9-HOTrE
A hydroxyoctadecatrienoic acid that consists of 10E,12Z,15Z-octadecatrienoic acid bearing an additional 9-hydroxy substituent. CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0205.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0205.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0205.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000137.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000137.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000137.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000137.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000137.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000137.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
Trimipramine
Trimipramine is only found in individuals that have used or taken this drug. It is a tricyclic antidepressant similar to imipramine, but with more antihistaminic and sedative properties. [PubChem]Trimipramines mechanism of action differs from other tricyclic antidepressants. Trimipramine acts by decreasing the reuptake of norepinephrine and serotonin (5-HT). N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators
Sodium Tetradecyl Sulfate
Sodium Tetradecyl Sulfate is only found in individuals that have used or taken this drug. It is an anionic surface-active agent used for its wetting properties in industry and used in medicine as an irritant and sclerosing agent for hemorrhoids and varicose veins. Sodium tetradecyl sulfate is a potent toxin for endothelial cells in that brief exposure to even low concentrations are effective in stripping endothelium over a considerable distance and exposing highly thrombogenic endothelium in the process. Diluted sodium tetradecyl sulfate is also able to induce a hypercoagulable state, possibly by selective inhibition of protein C, and can also promote platelet aggregation.
(9S,10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid
(9S,10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid is found in fruits. (9S,10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid is a constituent of Artocarpus communis (breadfruit) Constituent of Artocarpus communis (breadfruit). (9S,10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid is found in fruits.
9(10)-EpODE
9(10)-EpODE is an epoxy fatty acid where linolenic acid has been epoxidized at the 9-10 positions through the action of cytochrome P450 epoxygenases. Epoxy fatty acids are termed leukotoxins (the term includes a range of diverse compounds), because they produce their primary toxic effects against leukocytes. At high dosages, they have toxic cardiovascular effects, which can even result in death.
15(16)-EpODE
15(16)-EpODE is an oxygenated lipid that is present in human blood. This fatty acyl belongs to the main class of octadecanoids and sub class of other octadecanoids. (Lipid Maps) [HMDB] 15(16)-EpODE is an oxygenated lipid that is present in human blood. This fatty acyl belongs to the main class of octadecanoids and sub class of other octadecanoids. (Lipid Maps).
5-Hexyl-2-furanoctanoic acid
5-Hexyl-2-furanoctanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 5-Hexyl-2-furanoctanoic acid, in particular, can be described by the shorthand notation 8F6. This refers to its 8-carbon carboxyalkyl moiety, the non-methylated furan moiety, and its 6-carbon alkyl moiety. It has been identified in carp.
3,4-Dimethyl-5-propyl-2-furannonanoic acid
3,4-dimethyl-5-propyl-2-furannonanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3,4-dimethyl-5-propyl-2-furannonanoic acid, in particular, can be described by the shorthand notation 9D3. This refers to its 9-carbon carboxyalkyl moiety, the dimethyl substitutions in the 3- and 4-positions of its furan moiety, and its 3-carbon alkyl moiety.
A-12(13)-EpODE
a-12(13)-EpODE is an oxygenated lipid found in human blood. This fatty acyl belongs to the octadecanoid class. (Lipid Maps).
10-Oxo-11-octadecen-13-olide
10-Oxo-11-octadecen-13-olide is found in cereals and cereal products. 10-Oxo-11-octadecen-13-olide is isolated from cor
3,4-Dimethyl-5-pentyl-2-furanheptanoic acid
3,4-dimethyl-5-pentyl-2-furanheptanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3,4-dimethyl-5-pentyl-2-furanheptanoic acid, in particular, can be described by the shorthand notation 7D5. This refers to its 7-carbon carboxyalkyl moiety, the dimethyl substitutions in the 3- and 4-positions of its furan moiety, and its 5-carbon alkyl moiety. It is found in animal foods, and it is a component of F acid fraction present in beef blood serum. Component of F acid fraction present in beef blood serum. 3,4-Dimethyl-5-pentyl-2-furanheptanoic acid is found in animal foods.
Nordihydrocapsiate
Constituent of fruits of Capsicum annuum. Nordihydrocapsiate is found in many foods, some of which are green bell pepper, herbs and spices, fruits, and orange bell pepper. Nordihydrocapsiate is found in fruits. Nordihydrocapsiate is a constituent of fruits of Capsicum annuum
Squamostanal A
Squamostanal A is found in fruits. Acetogenin isolated from the seeds of Annona squamosa (sugar apple
(9Z,12Z,14E)-16-Hydroxy-9,12,14-octadecatrienoic acid
(9Z,12Z,14E)-16-Hydroxy-9,12,14-octadecatrienoic acid is found in cereals and cereal products. (9Z,12Z,14E)-16-Hydroxy-9,12,14-octadecatrienoic acid is isolated from the resistant cultivar of rice (Oryza sativa Isolated from the resistant cultivar of rice (Oryza sativa). (9Z,12Z,14E)-16-Hydroxy-9,12,14-octadecatrienoic acid is found in cereals and cereal products.
12(13)-epoxy-6Z,9Z-octadecadienoic acid
12(13)-epoxy-6Z,9Z-octadecadienoic acid is classified as a member of the Long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 12(13)-epoxy-6Z,9Z-octadecadienoic acid is considered to be practically insoluble (in water) and acidic. 12(13)-epoxy-6Z,9Z-octadecadienoic acid is an octadecanoid lipid molecule
Sterebin D
Sterebin D is a constituent of Stevia rebaudiana (stevia). Constituent of Stevia rebaudiana (stevia)
9-HOTE
9-HOTE or 9-hydroxy-10,12,15(E,Z,Z) octadecatrienoic acid is a hydroxy fatty acid derived from 10,12,15(E,Z,Z) octadecatrienoic acid (an 18:3 unsaturated fatty acid). [HMDB] 9-HOTE or 9-hydroxy-10,12,15(E,Z,Z) octadecatrienoic acid is a hydroxy fatty acid derived from 10,12,15(E,Z,Z) octadecatrienoic acid (an 18:3 unsaturated fatty acid).
15,16-Epoxy-9,12-octadecadienoic acid
15,16-Epoxy-9,12-octadecadienoic acid is found in fats and oils. 15,16-Epoxy-9,12-octadecadienoic acid is isolated from roots of rice plant, also from seed oil of false flax (Camelina sativa Isolated from roots of rice plant, also from seed oil of false flax (Camelina sativa). 15,16-Epoxy-9,12-octadecadienoic acid is found in fats and oils.
12,13-Epoxy-9,15-octadecadienoic acid
12,13-Epoxy-9,15-octadecadienoic acid is isolated from roots of rice plant Fukuyuk Isolated from roots of rice plant Fukuyuki.
Tanacetol A
Tanacetol A is found in herbs and spices. Tanacetol A is a constituent of Tanacetum vulgare (tansy) Constituent of Tanacetum vulgare (tansy). Tanacetol A is found in herbs and spices.
5-Heptyl-2-furanheptanoic acid
5-Heptyl-2-furanheptanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 5-Heptyl-2-furanheptanoic acid, in particular, can be described by the shorthand notation 7F7. This refers to its 7-carbon carboxyalkyl moiety, the non-methylated furan moiety, and its 7-carbon alkyl moiety. It has been identified in carp.
5-pentyl-2-furannonanoic acid
5-pentyl-2-furannonanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 5-pentyl-2-furannonanoic acid, in particular, can be described by the shorthand notation 9F5. This refers to its 9-carbon carboxyalkyl moiety, the non-methylated furan moiety, and its 5-carbon alkyl moiety. It has been identified in carp.
5-Butyl-3-methyl-2-furannonanoic acid
5-Butyl-3-methyl-2-furannonanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 5-Butyl-3-methyl-2-furannonanoic acid, in particular, can be described by the shorthand notation 9M4. This refers to its 9-carbon carboxyalkyl moiety, the methyl substitution in the 3-position of its furan moiety, and its 4-carbon alkyl moiety. It has been identified in the crayfish hepatopancreas.
(9Z,11E,13S,15Z)-13-Hydroxyoctadeca-9,11,15-trienoic acid
2-{2-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]ethoxy}ethanol
13-Oxo-9,11-octadecadienoic acid
13-oxoODE is produced from 13-HODE by a NAD+-dependent dehydrogenase present in rat colonic mucosa. 13-OxoODE has been shown to stimulate cell proliferation when instilled intrarectally in rats. 13-OxoODE has also been detected in preparations of rabbit reticulocyte plasma and mitochondrial membranes, mostly esterified to phospholipids. Production of 13-oxoODE is putatively linked to the maturation of reticulocytes to erythrocytes through the activity of 15-LO. [HMDB]
Dimetacrine
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
5-Hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one
Embelin
Embelin is a member of the class of dihydroxy-1,4-benzoquinones that is 2,5-dihydroxy-1,4-benzoquinone which is substituted by an undecyl group at position 3. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antimicrobial, antineoplastic and inhibitory activity towards hepatitis C protease. It has a role as a hepatitis C protease inhibitor, an antimicrobial agent, an antineoplastic agent and a plant metabolite. Embelin is a natural product found in Ardisia paniculata, Embelia tsjeriam-cottam, and other organisms with data available. A member of the class of dihydroxy-1,4-benzoquinones that is 2,5-dihydroxy-1,4-benzoquinone which is substituted by an undecyl group at position 3. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antimicrobial, antineoplastic and inhibitory activity towards hepatitis C protease. Embelin (Embelic acid), a potent, nonpeptidic XIAP inhibitor (IC50=4.1 μM), inhibits cell growth, induces apoptosis, and activates caspase-9 in prostate cancer cells with high levels of XIAP. Embelin blocks NF-kappaB signaling pathway leading to suppression of NF-kappaB-regulated antiapoptotic and metastatic gene products. Embelin also induces autophagic and apoptotic cell death in human oral squamous cell carcinoma cells[1][2][3]. Embelin (Embelic acid), a potent, nonpeptidic XIAP inhibitor (IC50=4.1 μM), inhibits cell growth, induces apoptosis, and activates caspase-9 in prostate cancer cells with high levels of XIAP. Embelin blocks NF-kappaB signaling pathway leading to suppression of NF-kappaB-regulated antiapoptotic and metastatic gene products. Embelin also induces autophagic and apoptotic cell death in human oral squamous cell carcinoma cells[1][2][3].
[4aR-(4aalpha,5alpha,6beta,8abeta)]-5-(Acetyloxy)-4a,5,6,7,8,8a-hexahydro-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone
5alpha-Acetoxy-9(12)-capnellene-8beta,10alpha-diol
8beta-Acetoxy-9(12)-capnellene-5alpha,10alpha-diol
(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
3,6,7b-Trimethyl-4-acetoxy-4a-hydroxy-2,4,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]indene-6-methanol
(+)-(2S,5S)-2,5-dibenzyl-1,4-dimethylpiperazine|(2S,5S)-1,4-dimethyl-2,5-bis(phenylmethyl)piperazine|(2S,5S)-2,5-dibenzyl-1,4-dimethylpiperazine|2,5-Dibenzylpiperazine-N,N-Di-Me
(2R,7S,11R)-7-acetoxy-2-hydroxynardosin-1(10)-en-12-al
13-(3-oxo-cyclopent-1-enyl)-tridecanoic acid|13-(3-Oxo-cyclopent-1-enyl)-tridecansaeure
(2E,6E,10E)-dimethyl 2,6,10-trimethyldodeca-2,6,10-trienedioate|Dimethyl-(2E,6E,10E)-3,7,11-trimethyl-2,6,10-dodecatriendioat
ent-N(1)-methyl-14,15-didehydroaspidospermidine|N(a)-Acetyl-6,7-dehydro-aspidospermidin
(4R*,4aS*,5R*,8aS*,9aS*)-9a-ethoxy-4a,5,6,7,8,8a,9,9a-octahydro-4-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one|6beta-hydroxy-8alpha-ethoxyeremophil-7(11)-en-12,8beta-olide
(11S,12R)-11,12-epoxy-8-hydroxy-14,15-dinor-13-labdanone
(2S,3S,4aR,8aS)-3-(1-hydroxy-1-methylethyl)-5,8a-dimethyl-7-oxo-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl acetate
5-acetoxy-3-(3-hydroxy-3-methylpent-4-enyl)-2,4,4-trimethylcyclohex-2-enone|5-acetoxy-3-(3-hydroxy-3-methylpent-4-enyl)-2,2,4-trimethylcyclohex-2-enone
2-methyloctanoic acid 6-oxo-2-propenyl-3,6-dihydro-2H-pyran-3-yl ester
4beta,10beta,15-trihydroxy-aromadendrane-10,15-acetonide
(+-)-8-Hydroxy-octadec-11t-en-9-insaeure|(+-)-8-hydroxy-octadec-11t-en-9-ynoic acid|(S?)-8-Hydroxy-octadec-11t-en-9-insaeure|(S?)-8-hydroxy-octadec-11t-en-9-ynoic acid|8-Hydroxy-octadecen-(trans-11)-in-(9)-saeure|8-hydroxy-trans-11-octadecen-9-ynoic acid
5S*,10R*-15-acetoxyelema-1,3,11(13)-trien-12,14-diol
7-ethoxymethyl-6-(2-hydroxyethyl)-2-hydroxymethyl--2,5-dimethylindan-4-ol|russujaponol J
4-Ketone, 2-Ac-5(14), 10-Cyclofarnesadiene-2, 4, 9-triol
((1R,3S,6R,7aR)-(+)-3-ethenyl-1-methyl-6-(1-methylethyl)-5-hydroxy-hexahydrocyclopenta[c]pyran-4-yl)methyl acetate|hodgsonox D
3(xi)-hydroxy-octadeca-4(E),6(Z),15(Z)-trienoic acid|3(zeta)-hydroxy-octadeca-4(E),6(Z),15(Z)-trienoic acid
2-acetoxy-Delta9(12)-capnellene-8beta,10alpha-diol
7,8a-divinyl-2,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-fluorene-2,4a,4b,9a-tetraol|HY253
2beta-acetoxy-6beta,7alpha-dihydroxyoplopa-3(14)Z,8(10)-diene
8,13-dioxo-14,15,17-trinorlabdan-19-oic acid|8,13-Dioxo-14,16,17-trisnorlabdan-19-saeure|8,13-Dioxo-15,16-dinorlabdan-19-saeure
10betaH-6beta-acetoxy-7beta,11beta-epoxyeremophilan-8-one
(2E)-3-[(1R,5R,6R,8aR)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidenenaphthalen-1-yl]prop-2-enoic acid|3,19-dihydroxy-14,15,16-trinor-ent-labda-8(17),11-dien-13-oic acid
3-hydroxy-3,7,11-trimethyldodeca-1,6E,10-trien-9-yl propionate
5-Ethyl-5-(3-ethyl-3-(2-ethylhexyl)oxiranyl)furan-2(5H)-one
Acetic acid 1-(3,5-dihydroxyphenyl)nonane-2-yl ester
Ac-2alpha-2-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid
5alpha,6beta-dihydroxy-9beta-acetoxy-eudesma-4(15),11-dien
1beta-acetoxyl-4(15),11(12)-eudesmen-3beta,5alpha-diol|chrysanthemumol K
(5Z)-5-(2-hydroxytetradecylidene)-furan-2(5H)-one|hygrophoron G12|hygrophorone G12
psiAalpha|Tetrahydro-6-(3-hydroxy-4,7-tridecadienyl)-2H-pyran-2-one,
[(3aR,6aR,7S,9aS,9bR)-3a,4,6a,7,8,9,9a,9b-octahydro-2,2,9a-trimethyl-7-(1-methylethyl)azuleno[4,5-d][1,3]dioxol-5-yl]methanol
2-[(2S)-trans-3-((E)-6-methyl-dodec-5-enyl)-oxiranyl]-acrylic acid|Conocandin
(1beta,7beta,8beta,10beta)-11-O-acetyl-8,11-dihydroxy-4-guaien-3-one|(1beta,7beta,8beta,10beta)-8,11-dihydroxyguai-4-en-3-one 11-acetate|11-(acetyl)torilolone|2-[(5S,6R,8S,8aR)-1,2,4,5,6,7,8,8a-octahydro-6-hydroxy-3,8-dimethyl-2-oxoazulen-5-yl]propan-2-yl acetate
1-heptadecene-4,6-diyne-3,8alpha,9alpha,10beta-tetraol
(1R*,5R*,7S*,9S*,10S*)-9-acetoxy-1(10)-epoxy-5-hydroxygermacra-4(15),11(13)-diene
methyl 3,6-epoxy-4R,8R-diethyl-6S-methyl-2Z,9E-dodecadienoate
Me ester-(5Z,8E,10E,12S)-12-Hydroxy-5,8,10-heptadecatrienoic acid|Me ester-12-Hydroxy-5,8,10-heptadecatrienoic acid
(+)-1-((rel-1R,2R,6S,8S,8aS)-2,8-dihydroxy-1,2,6-trimethyl-1,2,6,7,8,8a-hexahydro-naphthalen-1-yl)-3-methoxy-propan-1-one
13-Kodda
13-oxo-9E,11E-ODE is an oxooctadecadienoic acid that consists of 9E,11E-octadecadienoic acid with the oxo substituent located at position 13. It has a role as a metabolite. It is an oxo fatty acid and a 13-oxo-9,11-octadecadienoic acid. 13-OxoODE is a natural product found in Carthamus oxyacanthus, Artemisia argyi, and Glycine max with data available.
13-HoTrE
A hydroxyoctadecatrienoic acid that consists of 9Z,11E,15Z-octadecatrienoic acid bearing an additional 13-hydroxy substituent. CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0099.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0099.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0099.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001341.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001341.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001341.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001341.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001341.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001341.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
Gingerol
Gingerol is a beta-hydroxy ketone that is 5-hydroxydecan-3-one substituted by a 4-hydroxy-3-methoxyphenyl moiety at position 1; believed to inhibit adipogenesis. It is a constituent of fresh ginger. It has a role as an antineoplastic agent and a plant metabolite. It is a beta-hydroxy ketone and a member of guaiacols. Gingerol is a natural product found in Illicium verum, Piper nigrum, and other organisms with data available. See also: Ginger (part of). A beta-hydroxy ketone that is 5-hydroxydecan-3-one substituted by a 4-hydroxy-3-methoxyphenyl moiety at position 1; believed to inhibit adipogenesis. It is a constituent of fresh ginger. Annotation level-1 [6]-Gingerol is an active compound isolated from Ginger (Zingiber officinale), exhibits a variety of biological activities including anticancer, anti-inflammation, and anti-oxidation. [6]-Gingerol is an active compound isolated from Ginger (Zingiber officinale), exhibits a variety of biological activities including anticancer, anti-inflammation, and anti-oxidation. [6]-Gingerol is an active compound isolated from Ginger (Zingiber officinale), exhibits a variety of biological activities including anticancer, anti-inflammation, and anti-oxidation.
2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione
(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
6-Gingerol
[6]-Gingerol is an active compound isolated from Ginger (Zingiber officinale), exhibits a variety of biological activities including anticancer, anti-inflammation, and anti-oxidation. [6]-Gingerol is an active compound isolated from Ginger (Zingiber officinale), exhibits a variety of biological activities including anticancer, anti-inflammation, and anti-oxidation. [6]-Gingerol is an active compound isolated from Ginger (Zingiber officinale), exhibits a variety of biological activities including anticancer, anti-inflammation, and anti-oxidation.
C17H26O4_6-[(2E,4E)-4,6-Dimethyl-2,4-octadienoyl]-2,3-dihydroxy-2-methylcyclohexanone
(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one [IIN-based on: CCMSLIB00000847634]
(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one [IIN-based: Match]
(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one [IIN-based on: CCMSLIB00000847635]
(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one_major
Sodium tetradecyl sulfate
(9E,11E)-13-oxooctadeca-9,11-dienoic acid
A natural product found in Carthamus oxyacantha.
(9R,13R)-15,16-dihydro-12-oxo-10-phytoenoic acid
(9S,13S)-15,16-dihydro-12-oxo-10-phytoenoic acid
(9R,13R)-10,11-dihydro-12-oxo-15-phytoenoic acid
12,13-Epoxy-9,15-octadecadienoic acid
(9Z,12Z,14E)-16-Hydroxy-9,12,14-octadecatrienoic acid
Colneleic acid
A long-chain, divinyl ether fatty acid composed of 8-nonenoic acid having the E- hydrogen at position 9 substituted by a (1E,3Z)-nona-1,3,-dien-1-yloxy group.
tert-butyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)cyclohex-3-ene-1-carboxylate
2-(2-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]ethoxy)ethanol
methyl (2S,3S)-2-butyl-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydro-2H-chromene-3-carboxylate
methyl (2R,3S)-7,7-dimethyl-2-(2-methylpropyl)-5-oxo-3,4,6,8-tetrahydro-2H-chromene-3-carboxylate
methyl (2S,3S)-7,7-dimethyl-2-(2-methylpropyl)-5-oxo-3,4,6,8-tetrahydro-2H-chromene-3-carboxylate
4-tert-Octylphenol Diethoxylate
D009676 - Noxae > D000988 - Antispermatogenic Agents > D013089 - Spermatocidal Agents D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D013501 - Surface-Active Agents > D003902 - Detergents D001697 - Biomedical and Dental Materials
2,6-BIS(1,1-DIMETHYLETHYL)-4-(PHENYLMETHYLENE)-2,5-CYCLOHEXADIEN-1-ONE
(R,R)-(+)-2,2-Isopropylidenebis(4-tert-butyl-2-oxazoline)
3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine,formaldehyde,phenol
(S,S)-(-)-2,2-Isopropylidenebis(4-tert-butyl-2-oxazoline)
Dimetacrine
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
methyl (2R,3S)-2-butyl-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydro-2H-chromene-3-carboxylate
8-Cyclohexyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole
(13S)-12,13-epoxyoctadeca-9,11-dienoic acid
A C18, polyunsaturated, epoxy fatty acid having double bonds at positions 9 and 11, and a (13S)-12,13-epoxy group.
N-cyclohexyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine
(9Z,13S)-12,13-epoxyoctadeca-9,11-dienoic acid
The (9Z)-isomer of (13S)-12,13-epoxyoctadeca-9,11-dienoic acid.
(+-)-5-[3-(Tert-butylammonio)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol(1+)
8-[(3Z)-3-[(Z)-oct-2-enylidene]oxiran-2-yl]octanoic acid
8-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]octanoic acid
(E,11E)-11-(3-pentyloxiran-2-ylidene)undec-9-enoic acid
(9Z,11E,15Z)-13-Hydroxy-9,11,15-octadecatrienoic acid
N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-benzimidazolamine
8-[2-[(Z)-2-Pentenyl]-3-oxocyclopentyl]octanoic acid
13-hydroxy-6Z,9Z,11E-octadecatrienoic acid
A hydroxyoctadecatrienoic acid that consists of 6Z,9Z,11E-octadecatrienoic acid having the hydroxy group located at position 13.
(2R,3R)-2-ethyl-4-[2-[(Z)-4-(2-ethylcyclopropyl)but-2-enyl]cyclopropyl]-3-hydroxybutanoic acid
(6Z,10S,12Z,15Z)-10-hydroxyoctadeca-6,12,15-trienoic acid
8alpha-(1-Methoxy-1-methyl-3-butenyl)-6,6-dimethyl-1alpha,5alpha-bicyclo(3.3.0)octan-2-one ethylene acetal
(1S,3aR,6aS)-1-[(2S)-2-methoxypent-4-en-2-yl]-3,3-dimethylspiro[1,2,3a,4,5,6a-hexahydropentalene-6,2-1,3-dioxolane]
proparacaine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics S - Sensory organs > S01 - Ophthalmologicals > S01H - Local anesthetics > S01HA - Local anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Propoxycaine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
(1S,2S)-3-oxo-2-(2Z-pentenyl)-cyclopentaneoctanoic acid
tetradecyl sulfonic acid
An alkyl sulfate that is the mono-7-ethyl-2-methylundecan-4-yl ester of sulfuric acid.
(9Z,11E,13S,15Z)-13-Hydroxyoctadeca-9,11,15-trienoic acid
9-oxo-10E,12E-ODE
An oxooctadecadienoic acid that consists of 10E,12E-octadecadienoic acid with the oxo substituent located at position 9.
(9E,11E,15Z)-9-hydroxyoctadeca-9,11,15-trienoic acid
(9S,10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid
(6E,8Z)-5-oxooctadecadienoic acid
An octadecanoid that is (6E,8Z)-octadecadienoic acid carrying an additional oxo substituent at position 5.
8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid
A carbocyclic fatty acid that is octanoic (caprylic) acid substituted at position 8 by a 3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl group (the 1R,2R-diastereomer).
13-oxo-9E,11E-ODE
An oxooctadecadienoic acid that consists of 9E,11E-octadecadienoic acid with the oxo substituent located at position 13.
13-oxo-9Z,11E-ODE
An oxooctadecadienoic acid that consists of 9Z,11E-octadecadienoic acid bearing an additional 13-keto substituent. In addtion it has been found as a natural product found in Carthamus oxyacantha.
8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid
An 8-{3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}octanoic acid that has 1S,2S-configuration.
13-oxo-9,11-octadecadienoic acid
An oxooctadecadienoic acid that is 9,11-octadecadienoic acid in which the oxo group is located at position 13.
(9Z,11E)-12-[(1E)-Hex-1-en-1-yloxy]dodeca-9,11-dienoic acid
(1s,12r,15s,17s)-1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]nonadeca-2(10),4,6,8-tetraene
(1s,4ar,5s,7r,8ar)-1,7-dimethyl-5-[(1-oxido-3,4,5,6-tetrahydropyridin-1-ium-2-yl)methyl]-octahydro-2h-quinolin-1-ium-1-olate
3-[2-(5,6-dimethylhept-3-en-2-yl)-1-methyl-5-oxocyclopentyl]propanoic acid
(1r,7s,9r,11r,13r,14r)-14-hydroxy-11-methyl-3-oxo-2,17-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecan-17-ium-17-olate
(3e)-4-[(1r,2s,3s,4as,8as)-2,3-dihydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]but-3-en-2-one
methyl 2-[(2z,3r,5s)-3-ethyl-5-[(2r,3e)-2-ethylhex-3-en-1-yl]-5-methyloxolan-2-ylidene]acetate
(3r,4e,6z,15z)-3-hydroxyoctadeca-4,6,15-trienoic acid
(10z,13z,16s)-16-[(1s)-1-hydroxypropyl]-1-oxacyclohexadeca-10,13-dien-2-one
(10z,13z,16s,17s)-17-ethyl-16-hydroxy-1-oxacycloheptadeca-10,13-dien-2-one
(2e)-13-[(3e,4s,5r)-4-hydroxy-5-methyloxolan-3-ylidene]tridec-2-enal
(9z,12z,15z)-9-hydroxyoctadeca-9,12,15-trienoic acid
13(r)-hydroxy-octadeca-(9z,11 e,15z)-trien-oicacid
{"Ingredient_id": "HBIN001295","Ingredient_name": "13(r)-hydroxy-octadeca-(9z,11 e,15z)-trien-oicacid","Alias": "NA","Ingredient_formula": "C18H30O3","Ingredient_Smile": "CCC=CCC(C=CC=CCCCCCCCC(=O)O)O","Ingredient_weight": "294.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10545","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "643726","DrugBank_id": "NA"}
