Exact Mass: 412.252593
Exact Mass Matches: 412.252593
Found 500 metabolites which its exact mass value is equals to given mass value 412.252593,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Testosterone cypionate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D000728 - Androgens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
Rhodotoxine
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate
Boviquinone 4
Metabolite of Boletus (Suillus) bovinus. Boviquinone 4 is found in mushrooms. Boviquinone 4 is found in mushrooms. Metabolite of Boletus (Suillus) bovinu
Unknown 370
Unknown 370 is found in fruits. Unknown 370 is isolated from the avocado fruit (Persea americana). Isolated from the avocado fruit (Persea americana). Unknown 370 is found in fruits.
(9E)-Valenciaxanthin
(9Z)-Valenciaxanthin is found in citrus. (9Z)-Valenciaxanthin is a constituent of Californian Valencia orange juice.
Austalide K
Austalide K is a mycotoxin of the food storage mould (Aspergillus ustus Mycotoxin of the food storage mould (Aspergillus ustus)
4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol
4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol is found in mushrooms. 4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol is isolated from Suillus granulatus (granulated bolete). Isolated from Suillus granulatus (granulated bolete). 4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol is found in mushrooms.
Abscisic alcohol 11-glucoside
Abscisic alcohol 11-glucoside is found in fruits. Abscisic alcohol 11-glucoside is a constituent of quince (Cydonia oblonga) fruit. Constituent of quince (Cydonia oblonga) fruit. Abscisic alcohol 11-glucoside is found in fruits.
Valenciachrome
Constituent of Californian Valencia orange juice (Citrus species). Valenciachrome is found in sweet orange and citrus. Valenciachrome is found in citrus. Valenciachrome is a constituent of Californian Valencia orange juice (Citrus sp.).
5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one
5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one is found in alcoholic beverages. 5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one is a constituent of hops
Calcipotriol
Calcipotriol is only found in individuals that have used or taken this drug. It is a synthetic derivative of calcitriol or Vitamin D.The precise mechanism of calcipotriol in remitting psoriasis is not well-understood. However, it has been shown to have comparable affinity with calcitriol for the Vitamin D receptor, while being less than 1\\% as active as the calcitriol in regulating calcium metabolism. The Vitamin D receptor (VDR) belongs to the steroid/thyroid receptor superfamily, and is found on the cells of many different tissues including the thyroid, bone, kindney, and T cells of the immune system. T cells are known to play a role in psoriasis, and it is thought that the binding of calcipotriol to the VDR modulates the T cells gene transcription of cell differentiation and proliferation related genes. D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D - Dermatologicals > D05 - Antipsoriatics > D05A - Antipsoriatics for topical use D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols C78284 - Agent Affecting Integumentary System > C29708 - Anti-psoriatic Agent D003879 - Dermatologic Agents
4-Methoxy-3-geranylgeranyl-1,2-dihydroxybenzene
4-Methoxy-3-geranylgeranyl-1,2-dihydroxybenzene is found in mushrooms. 4-Methoxy-3-geranylgeranyl-1,2-dihydroxybenzene is isolated from Suillus granulatus (granulated bolete). Isolated from Suillus granulatus (granulated bolete). 4-Methoxy-3-geranylgeranyl-1,2-dihydroxybenzene is found in mushrooms.
Trandolapril-d5 Diketopiperazine
Trandolapril-d5 Diketopiperazine is a metabolite of trandolapril. Trandolapril is an ACE inhibitor used to treat high blood pressure, it may also be used to treat other conditions. It is marketed by Abbott Laboratories with the brand name Mavik. (Wikipedia)
(22E)-(24R)-1alpha,24-Dihydroxy-26,27-cyclo-22,23-didehydro-20-epivitamin D3/(22E)-(24R)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydro-20-epicholecalciferol
(2R,3R)-2-Benzhydryl-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
C28H32N2O (412.25145019999997)
Asebotoxin
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
Durandro
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D000728 - Androgens
(E)-8-(3,4-Dimethoxystyryl)-7-methyl-1,3-dipropylxanthine
Lanabecestat
(2S)-5-(Diaminomethylideneamino)-2-[[2-(2,2-diphenylethoxy)acetyl]amino]pentanoic acid
MG(20:3(8Z,11Z,14Z)-2OH(5,6)/0:0/0:0)
MG(20:3(8Z,11Z,14Z)-2OH(5,6)/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(0:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0)
MG(0:0/20:3(8Z,11Z,14Z)-2OH(5,6)/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).
DG(2:0/18:1(12Z)-O(9S,10R)/0:0)
DG(2:0/18:1(12Z)-O(9S,10R)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(2:0/18:1(12Z)-O(9S,10R)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(18:1(12Z)-O(9S,10R)/2:0/0:0)
DG(18:1(12Z)-O(9S,10R)/2:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(18:1(12Z)-O(9S,10R)/2:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(2:0/0:0/18:1(12Z)-O(9S,10R))
DG(2:0/0:0/18:1(12Z)-O(9S,10R)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(18:1(12Z)-O(9S,10R)/0:0/2:0)
DG(18:1(12Z)-O(9S,10R)/0:0/2:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(2:0/18:1(9Z)-O(12,13)/0:0)
DG(2:0/18:1(9Z)-O(12,13)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(2:0/18:1(9Z)-O(12,13)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(18:1(9Z)-O(12,13)/2:0/0:0)
DG(18:1(9Z)-O(12,13)/2:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(18:1(9Z)-O(12,13)/2:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(2:0/0:0/18:1(9Z)-O(12,13))
DG(2:0/0:0/18:1(9Z)-O(12,13)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(18:1(9Z)-O(12,13)/0:0/2:0)
DG(18:1(9Z)-O(12,13)/0:0/2:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
Sonchuside C
Sonchuside c belongs to eudesmanolides, secoeudesmanolides, and derivatives class of compounds. Those are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. Sonchuside c is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Sonchuside c can be found in chicory, which makes sonchuside c a potential biomarker for the consumption of this food product.
Valenciaxanthin
(9e)-valenciaxanthin is a member of the class of compounds known as sesterterpenoids. Sesterterpenoids are terpenes composed of five consecutive isoprene units (9e)-valenciaxanthin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (9e)-valenciaxanthin can be found in citrus, which makes (9e)-valenciaxanthin a potential biomarker for the consumption of this food product. Constituent of Californian Valencia orange juice (Citrus species). (9E)-Valenciaxanthin is found in citrus.
3beta-Acetoxy-14-n-butyryloxy-10-deoxyfloridanolide
methyl galbanate
Origin: Plant, Coumarins, Coumarin terpenoids, Sesquiterpenoids, Ferula terpenoids
N-Methylcheilanthifoline-7-O-glucoside
C24H30NO5+ (412.21238700000004)
5,5-[(6Z)-6-Tetradecene-1,14-diyl]bis(1,3-benzenediol)
5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-10-enyl]benzene-1,3-diol
5-hydroxy-2,8-dimethyl-6-(3-methyl-2-butenyl)-8-(3,7-dimethyl-2,6-octadienyl)-2H-1-benzopyran-4,7(3H,8H)-dione
(3R)-3-beta-D-glucopyranosyloxy-5-phenylvaleric acid n-butyl ester
5alpha,8alpha-Epidioxycholesta-6,9(11),22-trien-3beta-ol
plakortolide P
An organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata.
(-)-epistypodiol|(14R)-form-Stypodiol|epistypodiol
(25S)-neospirost-4-en-3-one|(25S)-Spirost-4-en-3-on|(25S)-spirost-4-en-3-one|Diosgenone|Tamogenone
aglaiabbreviatin A
A tetracyclic triterpenoid isolated from the stems of Aglaia abbreviata.
16-deacetoxy-12-epi-scalarafuranacetate|16-deacetyl-12-epi-scalarafuran|16-deaxetoxy-12-epi-scalarafuran acetate
11beta,13-dihydrocostunolide-14-O-beta-D-glucopyranoside
1-Me ether-(2Z,6E,10E)-5-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-1,2,3-benzenediol
(1R,7R,10S)-11-hydroxyguai-4-ene-3,8-dione beta-D-glucopyranoside
(4S,7R)-7-[(1E,3E,5E,7E)-8-[(2S,3R,6S)-3,6-dihydro-3-hydroxy-3,6-dimethyl-2H-pyran-2-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione|wortmannilactone H
(25S)-3-oxocholesta-1,4-dien-26-oic acid|(25S)-Delta(1,4)-dafachronic acid
1,2,3,4-tetrahydro-1alpha,2beta,7-trihydroxy-1beta,6-dimethyl-4beta-isopropylnaphthalene-2-O-beta-D-glucoside
3alpha-hydroxy-beta-eudesmol-(alpha-xylopyranoside-2-O-acetate)|3alpha-hydroxy-beta-eudesmol-
2-alpha-O-beta-D-glucopyranosyl-5alpha,11alphaH-eudesma-4(15)-en-12,8beta-olide|2alpha-O-beta-D-glucopyranosyleudesm-4(15)-en-12,8beta-olide
(20S,22E)-cholesta-1,4,22-trien-18,20-diol-3-one|(20S,22E)-cholesta-1,4,22-triene-18,20-diol-3-one
(6S*,8aS*)-3,5,6,7,8,8a-hexahydro-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-3-oxo-naphthalen-1-yl beta-D-glucopyranoside|carandoside
1beta-O-beta-D-glucopyranosyl-5alpha,6betaH-eudesma-3-en-12,6alpha-olide
(5a,7a,13a,17a)-7-hydroxy-4,4,8-trimethyl-3-oxocarda-1,14-dienolide|6-de(acetyloxy)-7-deacetylchisocheton compound E
4,4,14alpha-trimethyl-5alpha-chol-7,9(11)-dien-3-oxo-24-oic acid
7alpha (H)-eudesmane-4,11(12)-diene-3-one-2beta-hydroxy-13-beta-D-glucopyranoside
1beta-O-(beta-D-glucopyranosyloxyl)-eudesma-4,11(13)-dien-12-oic acid|alatoside H
7-(2-oxohexyl)-11-hydroxy-6, 12-dioxo-7,9(11),13-abietatriene|7-(2-oxohexyl)-taxodione
delta-(Z)-deoxyamplexichromanol|delta-tocotrienilic alcohol
(1S,4S,5R,6R,9S)-13-O-beta-D-glucopyranosyl-13-hydroxyallocedra-2,11-dione
(3beta,22E)-3-Hydroxycholesta-5,22-diene-7,24-dione
5,6-dehydro-alpha-eudesmol-(alpha-xylopyranoside-2-O-acetate)|5,6-dehydro-alpha-eudesmol-
5-[(8Z)-heptadec-8-en-1-yl]-7-hydroxy-8-methyl-2H-1-benzopyran-2-one
3??,6??,8??-Triacetoxy-4??,5??:1??,10??-diepoxygermacrane
9-hydroxy-3-O-(2-O-acetyl-beta-D-xylopyranosyl)-nerolidol
3-O-acetyl-4,5-O-(3-methylvaleryl)-and (2-methylbutyryl)-shikimic acid methyl ester|3-O-acetyl-4,5-O-<3-methylvaleryl>-and <2-methylbutyryl>-shikimic acid methyl ester
(22E,24R*,25R*)-5alpha,8alpha-epidioxy-24,26-cyclo-cholesta-6,22-dien-3beta-ol
12,13-dimethoxy-20-methyl-ibogamine-18-carboxylic acid methyl ester|12,13-Dimethoxycoronaridin
Cholest-5-en-23-yn-3beta,25-diol-7-one|Gelliusterol D
3beta-[(beta-D-glucopyranosyl)oxy]-11alphaH-eudesm-4(14)-en-12,8beta-olide
15-hydroxy-gamma-eudesmol-(alpha-xylopyranoside-2-O-acetate)|15-hydroxy-gamma-eudesmol-
3-carboxy-2-(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-ylmethoxy)-pentanedioic acid|isocryptoporic acid I
Angeloyl-(6alpha,12betaH)-14,16-Epoxy-6-hydroxy-17-oxo-7,13(16),14-labdatrien-17,12-olide
nhatrangin A
D009676 - Noxae > D011042 - Poisons > D008235 - Lyngbya Toxins D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins
2-((2E,6E,10E)-5-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)-6-methylhydroquinone|2-(2E,6E,10E)-5-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl-6-methylhydroquinol|2-(5-Hydoxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-6-methyl-1,2-benzendiol|2-<(2E,6E,10E)-5-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl>-6-methylhydroquinone
3alpha-Tiglinoyloxy-9,11-dehydrostachensaeure-methylester
(3,5-Di-tert.-butyl-4-hydroxy-benzyl)-beta-D-glucopyranosid-uronsaeure (?)|<3,5-Di-tert.-butyl-4-hydroxy-benzyl>-beta-D-glucopyranosid-uronsaeure (?)
1,2,3,4-tetrahydro-1alpha,2beta,7-trihydroxy-1beta,6-dimethyl-4beta-isopropylnaphthalene-1-O-beta-D-glucoside
LysoPC(10:0)
Acquisition and generation of the data is financially supported in part by CREST/JST.
(2Z)-2-[(E)-11-hydroxy-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid
[4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] octanoate
C21H32O8_(3S,3aS,6E,9S,10E,11aS)-3,6,10-Trimethyl-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-9-yl beta-D-glucopyranoside
C22H36O7_Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate, (3beta,6beta,14R,16alpha)
5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-8-enyl]benzene-1,3-diol
grayanotoxin I
A tetracyclic diterpenoid that is grayanotoxane in which the pro-R hydrogen at position 14 is substituted by an acetoxy group and in which the 3beta-, 5-, 6beta-, 10-, and 16- positions are substituted by hydroxy groups. D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
(S,E)-(2-(4,8-dimethylnona-3,7-dien-1-yl)-8-formyl-5-hydroxy-2-methyl-2H-chromen-7-yl)methyl acetate
(2Z)-2-[(E)-11-hydroxy-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid [IIN-based: Match]
5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-8-enyl]benzene-1,3-diol_major
5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-10-enyl]benzene-1,3-diol_major
Ala Ile Ile Pro
Ala Ile Leu Pro
Ala Ile Pro Ile
Ala Ile Pro Leu
Ala Leu Ile Pro
Ala Leu Leu Pro
Ala Leu Pro Ile
Ala Leu Pro Leu
Ala Pro Ile Ile
Ala Pro Ile Leu
Ala Pro Leu Ile
Ala Pro Leu Leu
Calcipotriene
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D - Dermatologicals > D05 - Antipsoriatics > D05A - Antipsoriatics for topical use D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols C78284 - Agent Affecting Integumentary System > C29708 - Anti-psoriatic Agent D003879 - Dermatologic Agents
Ile Ala Ile Pro
Ile Ala Leu Pro
Ile Ala Pro Ile
Ile Ala Pro Leu
Ile Ile Ala Pro
Ile Ile Pro Ala
Ile Leu Ala Pro
Ile Leu Pro Ala
Ile Pro Ala Ile
Ile Pro Ala Leu
Ile Pro Ile Ala
Ile Pro Leu Ala
Ile Pro Pro Ser
Ile Pro Ser Pro
Ile Ser Pro Pro
Leu Ala Ile Pro
Leu Ala Leu Pro
Leu Ala Pro Ile
Leu Ala Pro Leu
Leu Ile Ala Pro
Leu Ile Pro Ala
Leu Leu Ala Pro
Leu Leu Pro Ala
Leu Pro Ala Ile
Leu Pro Ala Leu
Leu Pro Ile Ala
Leu Pro Leu Ala
Leu Pro Pro Ser
Leu Pro Ser Pro
Leu Ser Pro Pro
Pro Ala Ile Ile
Pro Ala Ile Leu
Pro Ala Leu Ile
Pro Ala Leu Leu
Pro Ile Ala Ile
Pro Ile Ala Leu
Pro Ile Ile Ala
Pro Ile Leu Ala
Pro Ile Pro Ser
Pro Ile Ser Pro
Pro Leu Ala Ile
Pro Leu Ala Leu
Pro Leu Ile Ala
Pro Leu Leu Ala
Pro Leu Pro Ser
Pro Leu Ser Pro
Pro Pro Ile Ser
Pro Pro Leu Ser
Pro Pro Ser Ile
Pro Pro Ser Leu
Pro Pro Thr Val
Pro Pro Val Thr
Pro Ser Ile Pro
Pro Ser Leu Pro
Pro Ser Pro Ile
Pro Ser Pro Leu
Pro Thr Pro Val
Pro Thr Val Pro
Pro Val Pro Thr
Pro Val Thr Pro
Pro Val Val Val
Ser Ile Pro Pro
Ser Leu Pro Pro
Ser Pro Ile Pro
Ser Pro Leu Pro
Ser Pro Pro Ile
Ser Pro Pro Leu
Thr Pro Pro Val
Thr Pro Val Pro
Thr Val Pro Pro
Val Pro Pro Thr
Val Pro Thr Pro
Val Pro Val Val
Val Thr Pro Pro
Val Val Pro Val
Val Val Val Pro
(5Z,7E)-(1S,3R)-1-fluoro-9,10-seco-5,7,10(19),16-cholestatetraen-23-yne-3,25-diol
C27H37FO2 (412.27774339999996)
1α-hydroxy-24-oxo-26,27-cyclovitamin D3 / 1α-hydroxy-24-oxo-26,27-cyclocholecalciferol
(5Z,7E,22E)-(3S)-3,25-dihydroxy-9,10-seco-5,7,10(19),22-cholestatetraen-24-one
(5Z,7E,22E)-(1S,3R,24R)-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol
(5Z,7E,22E)-(1S,3R,20S,24R)-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol
(5Z,7E,22E)-(1S,3R,20S,24S)-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol
(5Z,7E,23E)-(1S,3R)-9,10-seco-5,7,10(19),16,23-cholestapentaene-1,3,25-triol
(5Z,7E,23Z)-(1S,3R)-9,10-seco-5,7,10(19),16,23-cholestapentaene-1,3,25-triol
(5Z,7E)-(1S,3R,23R)-9,10-seco-5,7,10(19),22,23-cholestapentaene-1,3,25-triol
(5Z,7E)-(1S,3R,23S)-9,10-seco-5,7,10(19),22,23-cholestapentaene-1,3,25-triol
(5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,25-triol
(5Z,7E,22E,24E)-(1S,3R)-26a-homo-27-nor-9,10-seco-5,7,10(19),22,24-cholestapentaene-1,3,26a-triol
Calcipotriol
Bovinone
5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one
Austalide K
(9E)-Valenciaxanthin
Valenciachrome
Unknown 370
Abscisic alcohol 11-glucoside
4-Methoxy-3-geranylgeranyl-1,2-dihydroxybenzene
4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol
ST 27:4;O3
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D000728 - Androgens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
1alpha-fluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3
C27H37O2F (412.27774339999996)
DICYCLOHEXYLAMINE (2S,4R)-1-(TERT-BUTOXYCARBONYL)-4-HYDROXYPYRROLIDINE-2-CARBOXYLATE
C22H40N2O5 (412.29370700000004)
Urea, N-cyclopentyl-N-(2,4-difluorophenyl)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]- (9CI)
Ametantrone
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D000970 - Antineoplastic Agents
GBR 12783 dihydrochloride
C28H32N2O (412.25145019999997)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists D049990 - Membrane Transport Modulators
Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)phenyl ester
Treprostinil sodium
C23H33NaO5 (412.22255680000006)
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C78568 - Prostaglandin Analogue
butyl prop-2-enoate,ethenyl acetate,ethenyl 8-methylnonanoate
3,5-dimethylmorpholine-4-carboxamidine hemisulfate salt
C14H32N6O6S (412.21039320000006)
2,2-(5-Cyclohexyl-1,3-phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
C24H38B2O4 (412.29560480000004)
(BENZO[3,4-D]1,3-DIOXOLAN-5-YLMETHYLENE)METHANE-1,1-DICARBONITRILE
2-DEOXY-ALPHA-D-RIBOSE 1-PHOSPHATE BIS(CYCLOHEXYLAMINE) SALT
(E)-8-(3,4-Dimethoxystyryl)-7-methyl-1,3-dipropylxanthine
2-(Diphenylmethyl)-N-((2-methoxyphenyl)methyl)-1-azabicyclo(2.2.2)octan-3-amine
C28H32N2O (412.25145019999997)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Plakortolide O
An organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata.
2-Methyl-3-phenyl-5-propyl-7-[4-(2-pyridinyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine
1alpha-fluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3/1alpha-fluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrocholecalciferol
C27H37FO2 (412.27774339999996)
2,4-Diamino-6-ethyl-5,3-(2-cyclohexylphenoxy)prop-1-yloxypyrimidine
C23H32N4O3 (412.24742819999994)
[(2S)-1-acetyloxy-3-hydroxypropan-2-yl] (Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
[(2S)-2-acetyloxy-3-hydroxypropyl] (Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
[(2R)-3-acetyloxy-2-hydroxypropyl] (Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
[(2S)-3-acetyloxy-2-hydroxypropyl] (Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
(3S,4aR,5S,8R)-8-hydroxy-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
A natural product found in Pittocaulon velatum.
N-(phenylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-5-pyrazolo[3,4-b]pyridinyl]propanamide
(3S,4aR,5R,6S)-6-hydroxy-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
A natural product found in Pittocaulon velatum.
(3S,4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
A natural product found in Pittocaulon velatum and Pittocaulon praecox.
(3R,3aS,6E,9S,10E,11aS)-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-pyridin-2-ylacetyl)amino]oxan-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-8-(3-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C23H32N4O3 (412.24742819999994)
(2R)-4-[4-[(8R,9R,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
(2S)-4-[4-[(8S,9R,10R)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
(2R)-4-[4-[(8S,9R,10R)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
N,N-dimethyl-3-[4-[(1R,5S)-6-(3-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide
1-[(1S)-1-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-2-(dimethylamino)ethanone
C23H32N4O3 (412.24742819999994)
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-8-(3-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C23H32N4O3 (412.24742819999994)
(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-8-(3-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C23H32N4O3 (412.24742819999994)
(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-8-(3-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C23H32N4O3 (412.24742819999994)
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
(2R)-4-[4-[(8R,9S,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
(2R)-4-[4-[(8S,9S,10R)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
(2S)-4-[4-[(8R,9R,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
(2S)-4-[4-[(8R,9S,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
N,N-dimethyl-4-[4-[(1R,5S)-6-(2-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide
1-[(1R)-1-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-2-(dimethylamino)ethanone
C23H32N4O3 (412.24742819999994)
[(1S,3R,4R,6S,8S,9R,10R,13R,14R,16S)-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-(1,3-oxazol-4-ylmethyl)-6-oxo-7-[(Z)-prop-1-enyl]-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-(1,3-oxazol-4-ylmethyl)-6-oxo-7-[(Z)-prop-1-enyl]-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(3R,3As,6Z,9S,10E,11aS)-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
2-[hydroxy-[(2R)-3-hydroxy-2-(9-oxononanoyloxy)propoxy]phosphoryl]oxyethyl-trimethylazanium
C17H35NO8P+ (412.21001800000005)
2-[(3-Decanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
(2S,3S)-4-Benzyloxy-1-(tert-butyldimethylsilyloxy)-2-methoxyethoxymethoxy-3-methylbutane
C22H40O5Si (412.26448700000003)
[4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] octanoate
(2Z)-2-[(E)-11-hydroxy-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid
2-[(3-Acetyloxy-2-heptanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C17H35NO8P+ (412.21001800000005)
2-[(2-Acetyloxy-3-octoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
[1-carboxy-3-[3-[(3E,6E,9E)-dodeca-3,6,9-trienoyl]oxy-2-hydroxypropoxy]propyl]-trimethylazanium
2-[(2-Hexanoyloxy-3-propanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C17H35NO8P+ (412.21001800000005)
2-[(3-Butanoyloxy-2-pentanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C17H35NO8P+ (412.21001800000005)
2-[Hydroxy-(2-hydroxy-3-undecoxypropoxy)phosphoryl]oxyethyl-trimethylazanium
C19H43NO6P+ (412.28278480000006)
TG(20:1)
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