Exact Mass: 294.18647000000004
Exact Mass Matches: 294.18647000000004
Found 500 metabolites which its exact mass value is equals to given mass value 294.18647000000004,
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.
Vinburnine
Eburnamonine is an alkaloid. Vinburnine is a natural product found in Kopsia pauciflora, Aspidosperma quebracho-blanco, and other organisms with data available. C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C932 - Vinca Alkaloid Compound C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids C1907 - Drug, Natural Product relative retention time with respect to 9-anthracene Carboxylic Acid is 0.645 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.638 Vincamone is a vinca alkaloid and a metabolite of vincamine, is a vasodilator. Vincamone is a vinca alkaloid and a metabolite of vincamine, is a vasodilator.
Cinchonidine
Cinchonine is found in fruits. Cinchonine is an alkaloid from the leaves of Olea europaea Cinchonine is an alkaloidwith molecular formula C19H22N2O used in asymmetric synthesis in organic chemistry. It is a stereoisomer and pseudo-enantiomer of cinchonidine D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents [Raw Data] CB216_Cinchonine_pos_10eV_CB000075.txt [Raw Data] CB216_Cinchonine_pos_30eV_CB000075.txt [Raw Data] CB216_Cinchonine_pos_40eV_CB000075.txt [Raw Data] CB216_Cinchonine_pos_50eV_CB000075.txt [Raw Data] CB216_Cinchonine_pos_20eV_CB000075.txt Alkaloid from the leaves of Olea europaea Cinchonidine (α-Quinidine) is a cinchona alkaloid found in Cinchona officinalis and Gongronema latifolium. A building block used in asymmetric synthesis in organic chemistry. Weak inhibitor of serotonin transporter (SERT) with Kis of 330, 4.2, 36, 196, 15 μM for dSERT, hSERT, hSERT I172M, hSERT S438T, hSERT Y95F, respectively. Antimalarial activities[1]. Cinchonidine (α-Quinidine) is a cinchona alkaloid found in Cinchona officinalis and Gongronema latifolium. A building block used in asymmetric synthesis in organic chemistry. Weak inhibitor of serotonin transporter (SERT) with Kis of 330, 4.2, 36, 196, 15 μM for dSERT, hSERT, hSERT I172M, hSERT S438T, hSERT Y95F, respectively. Antimalarial activities[1]. Cinchonine is a natural compound present in Cinchona bark. Cinchonine activates endoplasmic reticulum stress-induced apoptosis in human liver cancer cells[1]. Cinchonine is a natural compound present in Cinchona bark. Cinchonine activates endoplasmic reticulum stress-induced apoptosis in human liver cancer cells[1].
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.
2-[(2E)-3,7-Dimethyl-2,6-octadienyl]-1,4-naphthoquinone
Cinchonidine
Cinchonidine is 8-epi-Cinchonan in which a hydrogen at position 9 is substituted by hydroxy (R configuration). A diasteroisomer of cinchonine, it occurs in the bark of most varieties of Cinchona shrubs, and is frequently used for directing chirality in asymmetric synthesis. It has a role as a metabolite. It is a cinchona alkaloid and an (8xi)-cinchonan-9-ol. It derives from a hydride of an (8S)-cinchonan. Cinchonidine is a natural product found in Cinchona calisaya, Cinchona officinalis, and other organisms with data available. 8-epi-Cinchonan in which a hydrogen at position 9 is substituted by hydroxy (R configuration). A diasteroisomer of cinchonine, it occurs in the bark of most varieties of Cinchona shrubs, and is frequently used for directing chirality in asymmetric synthesis. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids Annotation level-1 [Raw Data] CBA34_Cinchonidine_pos_50eV_1-2_01_1626.txt [Raw Data] CBA34_Cinchonidine_pos_40eV_1-2_01_1625.txt [Raw Data] CBA34_Cinchonidine_pos_20eV_1-2_01_1623.txt [Raw Data] CBA34_Cinchonidine_pos_30eV_1-2_01_1624.txt [Raw Data] CBA34_Cinchonidine_pos_10eV_1-2_01_1617.txt Cinchonidine (α-Quinidine) is a cinchona alkaloid found in Cinchona officinalis and Gongronema latifolium. A building block used in asymmetric synthesis in organic chemistry. Weak inhibitor of serotonin transporter (SERT) with Kis of 330, 4.2, 36, 196, 15 μM for dSERT, hSERT, hSERT I172M, hSERT S438T, hSERT Y95F, respectively. Antimalarial activities[1]. Cinchonidine (α-Quinidine) is a cinchona alkaloid found in Cinchona officinalis and Gongronema latifolium. A building block used in asymmetric synthesis in organic chemistry. Weak inhibitor of serotonin transporter (SERT) with Kis of 330, 4.2, 36, 196, 15 μM for dSERT, hSERT, hSERT I172M, hSERT S438T, hSERT Y95F, respectively. Antimalarial activities[1]. Cinchonine is a natural compound present in Cinchona bark. Cinchonine activates endoplasmic reticulum stress-induced apoptosis in human liver cancer cells[1]. Cinchonine is a natural compound present in Cinchona bark. Cinchonine activates endoplasmic reticulum stress-induced apoptosis in human liver cancer cells[1].
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
C14H30O4S (294.18647000000004)
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).
Sinapoylputrescine
Sinapoylputrescine is found in fruits. Sinapoylputrescine is an alkaloid from Ananas comosus (pineapple). Alkaloid from Ananas comosus (pineapple). Sinapoylputrescine is found in fruits.
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.
(R)-Rhazinilam
Alkaloidal artifact from Aspidosperma quebracho-blanco (quebracho).
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).
Longistylin A
Longistylin A is found in pulses. Longistylin A is isolated from leaves of Cajanus cajan (pigeon pea). Isolated from leaves of Cajanus cajan (pigeon pea). Longistylin A is found in pulses.
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
Tyrosyl-Leucine
Tyrosyl-Leucine is a dipeptide composed of tyrosine and leucine. 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.
Myrsinone
Myrsinone is a constituent of Myrsine africana (cape myrtle). Constituent of Myrsine africana (cape myrtle)
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)
(E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene
Neolignan from essential oil of Ocimum americanum (wild basil). (E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene is found in herbs and spices. (E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene is found in herbs and spices. Neolignan from essential oil of Ocimum americanum (wild basil
Leucyl-Tyrosine
Leucyl-Tyrosine is a dipeptide composed of leucine and tyrosine. 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.
Tyrosyl-Isoleucine
Tyrosyl-Isoleucine is a dipeptide composed of tyrosine and isoleucine. 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.
Isoleucyl-Tyrosine
Isoleucyl-Tyrosine is a dipeptide composed of isoleucine and tyrosine. 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.
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]
Retinoid 9CUAB30
Benzoic acid, 4-(4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-1-ynyl)-, (E)-
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
Ogyline
D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
tiaden
C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
Potassium palmitate
C16H31KO2 (294.19610059999997)
It is used as a food additive .
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
3-Methoxy-4-(3-methyl-2-buten-1-yl)-5-[(1E)-2-phenylethenyl]phenol; Longistyline C
troxipide
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent
(+)-(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
12-Ethenyl-10-ethyl-7,8,9,10-tetrahydro-11H-6,10-methano-5,6-diazacycloocta[b]naphthalene-3-ol
(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
(3-vinyl-1,2,3,4,6,7,12,12b-octahydro-2,6-methano-indolo[2,3-a]quinolizin-13-yl)-methanol|(9-vinyl-5,6,8,9,10,11,12a,13-octahydro-6,10-methano-indolo[3,2-b]quinolizin-12-yl)-methanol|19,20-dihydro-sarpag-18-en-17-ol|Neosarpagin
((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
10-methoxy-16-methylene-3,7-seco-6-nor-condyfola-2(7),14(19)-diene|10-methoxy-3,7-seco-6-nor-cura-2(7),16,19-triene|10-Methoxyapparicin|4-ethylidene-10-methoxy-6-methylene-1,3,4,5,6,7-hexahydro-2,5-ethano-azocino[4,3-b]indole
trans-2-<3-(4-methoxyphenyl)-1-propen-2-yl>anethol|trans-2-[3-(4-methoxyphenyl)-1-propen-2-yl]anethol
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
2,2-Dimethyl-7-methoxy-5-(2-phenylethyl)-2H-1-benzopyran
3-hydroxy-3,7,11-trimethyldodeca-1,6E,10-trien-9-yl propionate
(3S,12R)-3-hydroxy-1,7-diazatricyclo[10.4.0.(13,7)]heptadecane-11,16,17-trione|(7S,15aR)-decahydro-7-hydroxy-6H-7,11-methano-4H-pyrido[1,2-a][1,7]diazacyclododecine-4,15,16(12H)-trione|alopecurin A
(7R,8R)-threo-Delta8-7-acetoxy-4-methoxy-8-O-4-neolignan|miliusamollin
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
(7R,8S)-3-methoxy-4-hydroxy-4?,7-epoxy-8,3?-neolignan-7?[E]-ene
(5Z)-5-(2-hydroxytetradecylidene)-furan-2(5H)-one|hygrophoron G12|hygrophorone G12
3-(4-Methoxyphenyl)-2-[2-methoxy-5-(2-propenyl)phenyl]propene
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
1,2-dehydrodesacetyl-retuline|1,2-Dehydrodesacetylretuline
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
(14alpha,15alpha)-14,15-epoxyaspidofractinine|(1aR,8bR,11aR,12aS)-4H,12H-1b,3b-ethano-1a,2,3,9,10,12a-hexahydro-11aH-oxireno[6,7]indolizino[8,1-cd]carbazole
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
Koumidine
Annotation level-1
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.
Longistyline A
Longistyline A is a natural product found in Cajanus cajan 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, ]
Cinchonine
Cinchonan in which a hydrogen at position 9 is substituted by hydroxy (S configuration). It occurs in the bark of most varieties of Cinchona shrubs, and is frequently used for directing chirality in asymmetric synthesis. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents Origin: Plant; Formula(Parent): C19H22N2O; Bottle Name:Cinchonine; PRIME Parent Name:Cinchonine; PRIME in-house No.:V0325; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.610 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2401; CONFIDENCE confident structure Cinchonine is a natural compound present in Cinchona bark. Cinchonine activates endoplasmic reticulum stress-induced apoptosis in human liver cancer cells[1]. Cinchonine is a natural compound present in Cinchona bark. Cinchonine activates endoplasmic reticulum stress-induced apoptosis in human liver cancer cells[1].
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
3-methoxy-4-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol
(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.
C19H22N2O_(3alpha,16alpha)-14,15-Dihydroeburnamenin-14-one
C17H26O4_6-[(2E,4E)-4,6-Dimethyl-2,4-octadienoyl]-2,3-dihydroxy-2-methylcyclohexanone
eburnamonine
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids
(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
Vincamone
Vincamone is a vinca alkaloid and a metabolite of vincamine, is a vasodilator. Vincamone is a vinca alkaloid and a metabolite of vincamine, is a vasodilator.
myristyl sulfate
C14H30O4S (294.18647000000004)
CONFIDENCE standard compound; INTERNAL_ID 2411
(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
C14H30O4S (294.18647000000004)
(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
Ile-tyr
A dipeptide formed from L-isoleucine and L-tyrosine residues.
Leu-tyr
A dipeptide formed from L-leucine and L-tyrosine residues.
Tyr-ile
A dipeptide formed from L-tyrosine and L-isoleucine residues.
Tyr-leu
A dipeptide formed from L-tyrosine and L-leucine residues.
12,13-Epoxy-9,15-octadecadienoic acid
Rhazinilam
(9Z,12Z,14E)-16-Hydroxy-9,12,14-octadecatrienoic acid
(E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene
tert-butyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)cyclohex-3-ene-1-carboxylate
4-Amino-N-(tert-butoxycarbonyl)-L-phenylalanine Methyl Ester
(S)-tert-butyl3-amino-2-(((benzyloxy)carbonyl)amino)propanoate
1-[2-AMINO-1-(2,5-DIMETHOXY-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
1-[2-AMINO-1-(3,4-DIMETHOXY-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
(4-(Diisopropylcarbamoyl)-2-ethoxypyridin-3-yl)boronic acid
tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate
1-BOC-3-(2-FLUORO-PHENYLAMINO)-PIPERIDINE
C16H23FN2O2 (294.17434699999995)
1-BOC-3-(3-FLUORO-PHENYLAMINO)-PIPERIDINE
C16H23FN2O2 (294.17434699999995)
1-BOC-3-[(2-FLUOROBENZYL-AMINO)-METHYL]-AZETIDINE
C16H23FN2O2 (294.17434699999995)
1-BOC-3-[(3-FLUOROBENZYL-AMINO)-METHYL]-AZETIDINE
C16H23FN2O2 (294.17434699999995)
1-BOC-3-[(4-FLUOROBENZYL-AMINO)-METHYL]-AZETIDINE
C16H23FN2O2 (294.17434699999995)
1-BOC-4-(2-FLUORO-PHENYLAMINO)-PIPERIDINE
C16H23FN2O2 (294.17434699999995)
tert-butyl 4-(4-fluoroanilino)piperidine-1-carboxylate
C16H23FN2O2 (294.17434699999995)
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
(1S,2R,5S)-(+)-Menthyl (R)-p-Toluenesulfinate
C17H26O2S (294.16534160000003)
4-ETHYLPHENYLAMINO-1,2-DIMETHYL-6-METHYLAMINOPYRIMIDINIUM CHLORIDE
3-Hexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene
4,4,5,5-TETRAMETHYL-2-(3,4,5-TRIMETHOXYPHENYL)-1,3,2-DIOXABOROLANE
Noxiptiline
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylate
2,6-BIS(1,1-DIMETHYLETHYL)-4-(PHENYLMETHYLENE)-2,5-CYCLOHEXADIEN-1-ONE
3-methyl-3-[3-(methylamino)propyl]-1-phenylindol-2-one
TERT-BUTYL 4-(3-FLUOROBENZYL)PIPERAZINE-1-CARBOXYLATE
C16H23FN2O2 (294.17434699999995)
3-(3-FLUORO-BENZYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C16H23FN2O2 (294.17434699999995)
3-(4-FLUORO-BENZYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C16H23FN2O2 (294.17434699999995)
dihydrogen phosphate,1-methyl-3-octyl-1,2-dihydroimidazol-1-ium
(R)-1-BENZYL-5-HYDROXYMETHYL-2-PYRROLIDINONE
C16H23FN2O2 (294.17434699999995)
Potassium palmitate-1,3,5,7,9-13C5
C16H31KO2 (294.19610059999997)
4-[(4-FLUOROPHENYL)METHYL]-1,1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER
C16H23FN2O2 (294.17434699999995)
2-(5-hexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1-BOC-3-(4-FLUORO-PHENYLAMINO)-PIPERIDINE
C16H23FN2O2 (294.17434699999995)
4-Benzylbenzeneboronic acid pinacol ester
C19H23BO2 (294.17910079999996)
1-(3,5-DIMETHYL-PHENYL)-PYRROLE-2,5-DIONE
C16H23FN2O2 (294.17434699999995)
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
2-(3-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C19H23BO2 (294.17910079999996)
(S)-5,5,6,6,7,7,8,8-octahydro-[1,1-binaphthalene]-2,2-diol
(1R,2S,5R)-(-)-MENTHYL (S)-P-TOLUENESULFINATE
C17H26O2S (294.16534160000003)
Tetradecyl hydrogen sulfate (ester)
C14H30O4S (294.18647000000004)
Retinoid 9CUAB30
C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent
Benzoic acid, 4-(4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-1-ynyl)-, (E)-
Methyl 3-(4-aminophenyl)-2-[(tert-butoxycarbonyl)amino]propanoate
8-Cyclohexyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole
1-(2-(2-Methyl-5-pyridyl)ethyl)-5-methoxy-2,3-dimethylindole
Norgestrienone
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AC - Progestogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
2H-Indol-2-one, 1,3-dihydro-3-methyl-3-(3-(methylamino)propyl)-1-phenyl-, (S)-
TIADENOL
C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
N-cyclohexyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine
2-Quinuclidinemethanol, alpha-4-quinolyl-5-vinyl-
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
[(1S,12S,13R,14S,15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
(+-)-5-[3-(Tert-butylammonio)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol(1+)
(S)-[(2S,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
[3-Carboxy-2-(3,4,5-trihydroxypentanoyloxy)propyl]-trimethylazanium
C12H24NO7+ (294.15526939999995)
(R)-[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methanol
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
10-Deoxysarpagine
An indole alkaloid that is sarpagan bearing a hydroxy group at position 17.
N-(2,4-dimethoxyphenyl)-3-(4-morpholinyl)propanamide
N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-benzimidazolamine
6-[(2E,4E)-4,6-dimethylocta-2,4-dienoyl]-2,3-dihydroxy-2-methylcyclohexan-1-one
2,4-dimethyl-N-[4-(1-pyrrolidinyl)phenyl]benzamide
(3,4-Dimethylphenyl)-(4-phenyl-1-piperazinyl)methanone
4-methyl-N-(3-methyl-1-phenylbutylidene)benzohydrazide
(2S,3S,4S)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
N-[(3R,5Z,12S)-2,11-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide
(2R,3S,4R)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3R,4S)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2R,3R,4R)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3S,4R)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3R,4R)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2R,3S,4S)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
N-butyl-N(2)-[(R)-2-hydroxy-2-phenylacetyl]-L-serinamide
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
tetradecyl sulfonic acid
C14H30O4S (294.18647000000004)
An alkyl sulfate that is the mono-7-ethyl-2-methylundecan-4-yl ester of sulfuric acid.
(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methanol
VQW-765
VQW-765 (AQW-051) is a selective and orally active alpha-7 nicotinic acetylcholine receptor (α7-nAChR) agonist with a pKD value of 7.56 to recombinantly expressed human α7-nAChR. VQW-765 shows anxiolytic-like effect in vivo. VQW-765 can be used for the research of anxiety disorder and acute performance anxiety[1].