Exact Mass: 368.2827
Exact Mass Matches: 368.2827
Found 418 metabolites which its exact mass value is equals to given mass value 368.2827,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Carboprost Tromethamine
Carboprost Tromethamine is only found in individuals that have used or taken this drug. It is a nonsteroidal abortifacient agent that is effective in both the first and second trimesters of pregnancy. [PubChem]Carboprost is a synthetic prostaglandin. It binds the prostaglandin E2 receptor, causing myometrial contractions, casuing the induction of labour or the expulsion of the placenta. Prostaglandins occur naturally in the body and act at several sites in the body including the womb (uterus). They act on the muscles of the womb, causing them to contract. G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02A - Uterotonics > G02AD - Prostaglandins D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents D012102 - Reproductive Control Agents > D010120 - Oxytocics C78568 - Prostaglandin Analogue
Cutamesine
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D002491 - Central Nervous System Agents > D018697 - Nootropic Agents
(E)-26,27-Dinorergosta-4,22-dien-3-one
(E)-26,27-Dinorergosta-4,22-dien-3-one is found in crustaceans. (E)-26,27-Dinorergosta-4,22-dien-3-one is a constituent of dried prawns (Nematopalaemon tenuipes).
(R)-3,4-Dihydro-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol
(R)-3,4-Dihydro-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol is found in cereals and cereal products. (R)-3,4-Dihydro-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol is isolated from rice bran. Antitumour agent and antioxidan Isolated from rice bran. Antitumour agent and antioxidant. (R)-3,4-Dihydro-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol is found in cereals and cereal products.
1,1'-[1,13-Tridecanediylbis(oxy)]bisbenzene
1,1-[1,13-Tridecanediylbis(oxy)]bisbenzene is found in nuts. 1,1-[1,13-Tridecanediylbis(oxy)]bisbenzene is isolated from the leaves of Arachis hypogaea (peanut) infected with Puccinia arachidis. Isolated from the leaves of Arachis hypogaea (peanut) infected with Puccinia arachidis. 1,1-[1,13-Tridecanediylbis(oxy)]bisbenzene is found in nuts.
12'-Apo-b-carotene-3,12'-diol
12-Apo-b-carotene-3,12-diol is found in fruits. 12-Apo-b-carotene-3,12-diol is a constituent of peaches (Prunus persica) Constituent of peaches (Prunus persica). 12-Apo-b-carotene-3,12-diol is found in fruits.
gamma-Eudesmol rhamnoside
gamma-Eudesmol rhamnoside is a constituent of fruits of Cananga odorata (ylang ylang). Constituent of fruits of Cananga odorata (ylang ylang)
beta-Cortol
beta-Cortol is a normal androgen metabolite present in adults. It has been found in the urine of infants as well. Beta-Cortol is the 5b enantiomer of beta-allocortol. Beta-cortol levels are significantly higher in premenopausal women with leiomyomas than in age-matched healthy premenopausal control women. Uterine leiomyomas are tumors closely associated with estrogen levels and it has been noted that the development of leiomyomas depends on the condition of menstruation, perimenopause and pregnancy. (PMID: 14698830, 14616886, 14643447, 15635046, 14709852) [HMDB] beta-Cortol is a normal androgen metabolite present in adults. It has been found in the urine of infants as well. beta-Cortol is the 5beta enantiomer of beta-allocortol. beta-Cortol levels are significantly higher in premenopausal women with leiomyomas than in age-matched healthy premenopausal control women. Uterine leiomyomas are tumours closely associated with estrogen levels and it has been noted that the development of leiomyomas depends on the condition of menstruation, perimenopause, and pregnancy (PMID: 14698830, 14616886, 14643447, 15635046, 14709852).
Octadecyl fumarate
Na salt is a dough conditioner, stabilising agent, conditioning agent for dehydrated potato and other processed foods. Na salt is a dough conditioner, stabilising agent, conditioning agent for dehydrated potato and other processed foods
2,2'-Methylenebis(4-ethyl-6-tert-butylphenol)
Cutamesine
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D002491 - Central Nervous System Agents > D018697 - Nootropic Agents
Didesmethyl tocotrienol
Prostaglandin F2alpha methyl ester
Proterguride
MG(18:2(10E,12Z)+=O(9)/0:0/0:0)
MG(18:2(10E,12Z)+=O(9)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(18:2(9Z,11E)+=O(13)/0:0/0:0)
MG(18:2(9Z,11E)+=O(13)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(18:3(10,12,15)-OH(9)/0:0/0:0)
MG(18:3(10,12,15)-OH(9)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(18:3(9,11,15)-OH(13)/0:0/0:0)
MG(18:3(9,11,15)-OH(13)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/18:2(10E,12Z)+=O(9)/0:0)
MG(0:0/18:2(10E,12Z)+=O(9)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/18:2(9Z,11E)+=O(13)/0:0)
MG(0:0/18:2(9Z,11E)+=O(13)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/18:3(10,12,15)-OH(9)/0:0)
MG(0:0/18:3(10,12,15)-OH(9)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/18:3(9,11,15)-OH(13)/0:0)
MG(0:0/18:3(9,11,15)-OH(13)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
docosanedioate
Docosanedioate, also known as docosanedioic acid or c22:0-dca(2-), is a member of the class of compounds known as very long-chain fatty acids. Very long-chain fatty acids are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. Docosanedioate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Docosanedioate can be found in a number of food items such as pomes, green zucchini, pot marjoram, and rowal, which makes docosanedioate a potential biomarker for the consumption of these food products. Docosanedioic acid is a dicarboxylic acid with the linear formula HOOC(CH2)20COOH .
[1R-(1alpha,2alpha,4aalpha,5alpha,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-5-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-1-naphthalenyl ester 3-phenyl-2-propenoic acid
[1R-[1alpha,4alpha,4aalpha,5alpha(E),6alpha,8abeta]]-Decahydro-4,8a-dimethyl-6-(1-methylethyl)-1,4-epoxynaphthalen-5-yl ester 3-phenyl-2-propenoic acid
Tomentogenin|Tomentogenin (5alpha-Dihydro-utendin)
(1beta,4alpha,5beta,6alpha,7alpha,10alpha)-10-Aromadendranol
tetrahydro-2-(14-hydroxypentadecyl)-4-methylene-5-oxo-3-furancarboxylic acid
methyl-2alpha,3alpha,9beta-trihydroxy-9-epi-labd-13(E)-en-15-oate
(-)-dihydropertusaric acid|(-)589-Pertusarinic acid|(2S,3S,4S)-2,3,4,5-tetrahydro-4-methyl-5-oxo-2-(14-oxopentadecyl)furan-3-carboxylic acid|(3S,4S,5S)-4-carboxy-3-methyl-2-oxo-5-(14-oxopentadecyl)tetrahydrofuran
3-hydroxy-2-(hydroxymethyl)-4-(14-methylpentadecanoyl)-2H-furan-5-one
6beta-(Cinnamoyloxy)eudesman-14-al|6beta-cinnamoyleudesman-15-al
4,5-cis-4.5-dihydroxy-5-(1-hydroxyheptadecyl)-2-cyclopenten-1-one|hygrophoron B16|hygrophorone B16
agallochin M|methyl ent-13-epi-8,13-epoxy-4,6alpha-dihydroxy-3,4-secolabd-14-en-3-oate
26,27-Bisnorcholest-5-en-23-yn-3beta-ol-7-one|Gelliusterol B
(-)-PGE1 methyl ester|(-)-prostaglandin E1 methyl ester|methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-1-octenyl]-5-oxocyclopentyl]heptanoate|Methyl prostaglandin E1|PGE1 methyl ester|prostaglandin E1 methyl ester
(2S)-1-O-(9-oxo-10(E),12(E)-octadecadienoyl) glycerol
19-nor-cholesta-1,3,5(10)-trien-3-ol|19-nor-Delta1,3,5(10)-cholestatrien-3-ol|19-Norcholesta-1,3,5(10)-trien-3-ol|19-norcholesta-1,3,5(10)trien-3-ol|3-Hydroxy-19-norcholesta-1,3,5(10)-triene
(4S,5S,7R,10S)-Eudesm-11-en-4-ol beta-D-fucopyranoside
(2SR,3RS)-methyl 3-hydroxy-2-((Z)-hexadec-7-enyl)-4-oxopentanoate
17-Methoxy-1-propionyl-aspidospermidin|17-methoxy-1-propionyl-aspidospermidine|Palosine
C25H36O2_Dicyclopenta[a,d]cycloocten-3(3aH)-one, 7-[(2Z)-1,5-dimethyl-2,4-hexadien-1-yl]-6,6a,7,8,9,9a,10,10a-octahydro-4-(hydroxymethyl)-1,9a-dimethyl-, (4E,6aS,7R,9aR,10aS)
Carboprost
G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02A - Uterotonics > G02AD - Prostaglandins D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents D012102 - Reproductive Control Agents > D010120 - Oxytocics C78568 - Prostaglandin Analogue
didesmethyl tocotrienol
(R)-3,4-Dihydro-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol
12'-Apo-b-carotene-3,12'-diol
(E)-26,27-Dinorergosta-4,22-dien-3-one
gamma-Eudesmol rhamnoside
5-((7Z,10Z,13Z,16Z)-nonadeca-7,10,13,16-tetraen-1-yl)resorcinol
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N,N-dicyclohexyl- (9CI)
[3aS-(3aa,4a,5b,6aa)]-4-[[[(tert-Butyl)dimethylsilyl]oxy]methyl]-5-[(tetrahydro-2H-pyran-2-yl)oxy]hexahydro-2(1H)-pentalenone
1-(tert-butyl)-3-(2,6-diisopropyl-4-phenoxyphenyl)urea
2,2-(3,5,5-trimethylhexylidene)bis[4,6-dimethylphenol]
4-((5,6-diphenylpyrazin-2-yl)(perdeutero-propan-2-yl)amino)butan-1-ol
Poly(1,6-hexanediol/neopentyl glycol-alt-adipic acid)
(16S,20S)-Pregnan-3beta,5alpha,6beta,16,20-pentaol
19-Norcholesta-1,3,5(10)-trien-3-ol
A 3-hydroxy steroid that is 19-norcholesta-1,3,5(10)-triene substituted by a hydroxy group at position 3. It is isolated from Hainan soft coral Dendronephthya studeri.
6-(Cyclohexylamino)-9-[2-(4-methylpiperazin-1-YL)-ethyl]-9H-purine-2-carbonitrile
(3R,17R)-17-(1,2-dihydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol
Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, (11alpha,13E)-(+-)-
[(2S)-2,3-dihydroxypropyl] (10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoate
[(2S)-2,3-dihydroxypropyl] (9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoate
1,3-dihydroxypropan-2-yl (10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoate
1,3-dihydroxypropan-2-yl (9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoate
[3-carboxy-2-[(5Z,8Z)-tetradeca-5,8-dienoyl]oxypropyl]-trimethylazanium
[(2S)-3-carboxy-2-[(3E,5E)-tetradeca-3,5-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(10E,12E)-tetradeca-10,12-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,9E)-tetradeca-6,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E)-tetradeca-2,4-dienoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-[3-(3-methyl-5-pentylfuran-2-yl)propanoyloxy]propyl]-trimethylazanium
[(4E,6E)-2-(carboxymethyl)-2-hydroxy-3-oxohexadeca-4,6-dienyl]-trimethylazanium
Hinesol beta-D-fucopyranoside, (rel)-
A natural product found in Carthamus oxyacantha.
5-(Hydroxymethyl)-3-(1-oxohexadecyl)oxolane-2,4-dione
N-oleoyl-L-serinate
An N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-serine. The major species at pH 7.3.
1-[3-(2-Hydroxypropoxy)-2,2-bis(2-hydroxypropoxymethyl)propoxy]propan-2-ol
N-(cyclobutylmethyl)-N-[[(2S,3R,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]acetamide
N-(cyclobutylmethyl)-N-[[(2R,3S,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]acetamide
[(1S)-3-carboxy-1-[(3E,5E)-tetradeca-3,5-dienoyl]oxypropyl]-trimethylazanium
3-Methyl-6-nonyl-6-(tetrahydro-2H-pyran-2-yloxymethyl)tetrahydro-2H-pyran-2,4-dione
2,4,6-Tri-tert-butyl-1-tert-butyldifluorosilylbenzene
[1-[(9Z,12Z)-hexadeca-9,12-dienoxy]-3-hydroxypropan-2-yl] propanoate
[1-[(9Z,12Z)-heptadeca-9,12-dienoxy]-3-hydroxypropan-2-yl] acetate
[3-carboxy-2-[(7E,9E)-tetradeca-7,9-dienoyl]oxypropyl]-trimethylazanium
(1-acetyloxy-3-hydroxypropan-2-yl) (9Z,12Z)-hexadeca-9,12-dienoate
2,3-dihydroxypropyl (9Z,12Z)-nonadeca-9,12-dienoate
(2S)-2-[1-Azido-4-[(tetrahydro-2H-pyran-2-yl)oxy]butyl]-1-pyrrolidinecarboxylic acid tert-butyl ester
(2R)-2-[(14S)-14-hydroxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
docosanedioate(2-)
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of docosanedioic acid; major species at pH 7.3.
IDF-11774
IDF-11774 is a novel hypoxia-inducible factor α (HIFα)-1 inhibitor with an IC50 of 3.65?μM.
6,10-dimethyl-4'-(4-methylpent-3-en-1-yl)-3a,4,5,8,9,11a-hexahydrospiro[cyclodeca[b]furan-3,1'-cyclohexan]-3'-en-2-one
(2r)-2,3-dihydroxypropyl (10e,12z)-9-oxooctadeca-10,12-dienoate
methyl (2e)-2-[(1s)-1-hydroxy-2-oxopropyl]octadec-2-enoate
4-hydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,5,8,8a-hexahydronaphthalen-1-yl 3-phenylprop-2-enoate
(2r,3s)-2-[(14r)-14-hydroxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
(2e,4r)-4-[(1r,3as,3bs,9ar,9bs,11ar)-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]pent-2-enoic acid
(2s)-2,3-dihydroxypropyl 9-oxooctadeca-10,12-dienoate
5-hydroxy-2-isopropyl-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1h-naphthalen-1-yl 3-phenylprop-2-enoate
[(3r,4r,6s)-6-[(1e,4s)-2,4-diethyloct-1-en-1-yl]-4,6-diethyl-1,2-dioxan-3-yl]acetic acid
9a,11a-dimethyl-1-(5-methylhex-3-en-2-yl)-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
(1r)-3-[(3e)-5-(2h-chromen-7-yloxy)-3-methylpent-3-en-1-yl]-2,2,4-trimethylcyclohex-3-en-1-ol
(2s,3s)-2-[(14r)-14-hydroxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
(1r,3ar,7s,9ar,9bs,11ar)-9a,11a-dimethyl-1-[(2r,3e)-5-methylhex-3-en-2-yl]-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
1-[2,4-dihydroxy-6-(10-phenyldecyl)phenyl]ethanone
(1r,2s,5e,10r,11r,18s,21r)-5,15,17,17-tetramethyl-9-methylidene-12,16-dioxapentacyclo[12.6.1.0¹,¹¹.0²,¹⁰.0¹⁸,²¹]henicosa-5,14-dien-13-one
4-hydroxy-5-(hydroxymethyl)-3-(14-methylpentadecanoyl)-5h-furan-2-one
3-[5-(2h-chromen-7-yloxy)-3-methylpent-3-en-1-yl]-2,2,4-trimethylcyclohex-3-en-1-ol
(1r,3s,7r,8e,11s,12r)-1,4-dimethyl-12-[(2s)-6-methylhept-5-en-2-yl]-6-oxotricyclo[9.3.0.0³,⁷]tetradeca-4,8-diene-8-carbaldehyde
(2s,3r,4s,5r,6r)-2-({2-[(2r,4as)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl]propan-2-yl}oxy)-6-methyloxane-3,4,5-triol
3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyldodeca-6,10-diene-1,5-dione
(3r,4e,6s,7r,8e,10e,12s,13e)-4,6,8,10,12-pentamethyl-14-phenyltetradeca-4,8,10,13-tetraene-3,7-diol
(4r,5r)-4,5-dihydroxy-5-(1-hydroxyheptadecyl)cyclopent-2-en-1-one
(1r,2s,4ar,5r,8as)-5-hydroxy-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl (2e)-3-phenylprop-2-enoate
(1r,3s,4s,7r,8e,11s,12s,13s,16s)-1,4,16-trimethyl-13-(prop-1-en-2-yl)tetracyclo[9.7.0.0³,⁷.0¹²,¹⁶]octadeca-5,8-diene-8-carboxylic acid
8a-hydroxy-1-isopropyl-3a,6-dimethyl-1,2,3,4,7,8-hexahydroazulen-4-yl 3-phenylprop-2-enoate
4,6,8,10,12-pentamethyl-14-phenyltetradeca-4,8,10,13-tetraene-3,7-diol
(1r,2s,5r,8s,8ar)-5-hydroxy-2-isopropyl-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1h-naphthalen-1-yl (2e)-3-phenylprop-2-enoate
(1r,2s,5s,6s,9r,12s,13s)-n,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-14,17-diene-7-carboximidic acid
abridin
{"Ingredient_id": "HBIN014234","Ingredient_name": "abridin","Alias": "NA","Ingredient_formula": "C25H36O2","Ingredient_Smile": "CN1C(=C(C2=C1C(=O)C=C(C2=O)N3CC3)CO)C=CCO","Ingredient_weight": "368.55","OB_score": "21.01357769","CAS_id": "73030-56-5","SymMap_id": "SMIT00712","TCMID_id": "12","TCMSP_id": "MOL007683","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
agallochin m
{"Ingredient_id": "HBIN014811","Ingredient_name": "agallochin m","Alias": "NA","Ingredient_formula": "C21H36O5","Ingredient_Smile": "CC1(CCC2C(O1)(CC(C(C2(C)CCC(=O)OC)C(C)(C)O)O)C)C=C","Ingredient_weight": "368.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "693","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101232173","DrugBank_id": "NA"}
alpha-bisabolol beta-d-fucopyranoside
{"Ingredient_id": "HBIN015411","Ingredient_name": "alpha-bisabolol beta-d-fucopyranoside ","Alias": "NA","Ingredient_formula": "C21H36O5","Ingredient_Smile": "CC1C(C(C(C(O1)OC(C)(CCC=C(C)C)C2CCC(=CC2)C)O)O)O","Ingredient_weight": "368.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "19480","PubChem_id": "102286643","DrugBank_id": "NA"}
