Exact Mass: 540.2406286
Exact Mass Matches: 540.2406286
Found 500 metabolites which its exact mass value is equals to given mass value 540.2406286,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tetrahydroaldosterone-3-glucuronide
Tetrahydroaldosterone-3-glucuronide is a natural human metabolite of Tetrahydroaldosterone generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Tetrahydroaldosterone-3-glucuronide is a natural human metabolite of Tetrahydroaldosterone generated in the liver by UDP glucuonyltransferase. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Sambacin
Sambacin is found in herbs and spices. Sambacin is isolated from Jasminum sambac (Arabian jasmine).
Atorvastatin lactone
Methyl 1-(3,4-dimethoxyphenyl)-3-(3-ethyl-1-oxopentyl)-4-hydroxy-6,7,8-trimethoxy-2-naphthalenecarboxylate
PA(2:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))
PA(2:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 4-hydroxy-docosahexaenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(2:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7))
PA(2:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 7-hydroxy-docosahexaenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/2:0)
PA(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/2:0), in particular, consists of one chain of one 7-hydroxy-docosahexaenoyl at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(2:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14))
PA(2:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 14-hydroxy-docosahexaenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/2:0)
PA(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/2:0), in particular, consists of one chain of one 14-hydroxy-docosahexaenoyl at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(2:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17))
PA(2:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 17-hydroxy-docosahexaenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/2:0)
PA(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/2:0), in particular, consists of one chain of one 17-hydroxy-docosahexaenoyl at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(2:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17))
PA(2:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 16,17-epoxy-docosapentaenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/2:0)
PA(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/2:0), in particular, consists of one chain of one 16,17-epoxy-docosapentaenoyl at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
IVHD-valtrate
[6-Acetyloxy-4a-hydroxy-1-(3-methylbutanoyloxy)spiro[1,5,6,7a-tetrahydrocyclopenta[c]pyran-7,2-oxirane]-4-yl]methyl 3-methyl-2-(3-methylbutanoyloxy)butanoate is a natural product found in Valeriana officinalis and Valeriana jatamansi with data available.
2alpha-senecioyloxy-3alpha-angeloyloxy-3,4-betaH-bacchotricuneatin
(1S,2R)-1-[4-beta-D-glucopyranosyloxy-3-methoxyphenyl]-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol|(7S,8R)-7,9,9-trihydroxy-3,3-dimethoxy-8-O-4-neolignan-4-O-beta-D-glucopyranoside|(7S,8R)-erythro-7,9,9-tirhydroxy-3,3-dimethoxy-8-O-4-neolignan-4-O-beta-D-glucopyranoside
9-Acetoxy-gamma-geraniol-1-O-(4,6-diacetyl-3-angelyl)-beta-D-glucopyranoside|9-Acetoxy-gamma-geraniol-1-O-<4,6-diacetyl-3-angelyl>-beta-D-glucopyranoside
6beta-O-(2,8-dimethyl-<2E,6E>-octadienoyl)-boschnaloside|6beta-O-(2,8-dimethyl-[2E,6E]-octadienoyl)-boschnaloside
(1S,5R,6R,9R)-5,12-epoxy-megastigman-3-on-9-ol 9-O-[6-O-galloyl]-beta-D-glucopyranoside|(9R)-megastigman-3-on-5,11-epoxy-9-ol 9-O-(6-O-galloyl)-beta-D-glucopyranoside|macarangioside C
(6S,9R)-megastigman-4-en-3-one-6,9-diol 9-O-(6-O-galloyl)-beta-D-glucopyranoside|macarangioside A
7-hydroxy-9-beta-glucopyranosyloxylsecoisolariciresinol|cinnacassoside A
7-hydroxy-9-beta-glucopyranosyloxy secoisolariciresinol
11beta,12alpha-diacetoxy-14beta,15beta-epoxyneotecleanin|11??,12??-Diacetoxy-14??,15??-epoxyneotecleanin|zumsin
3-oxo-7,8-dihydro-alpha-ionyl tetra-O-acetyl-beta-D-glucopyranoside|blumenol C-O-beta-D-tetraacetylglucopyranoside
(20S,22S,23S,24S,25S,26S)-5alpha-chloro-12alpha,22-23,26,24,25-triepoxy-6beta,12beta,17beta,26-tetrahydroxyergosta-1-one|jaborosalactol 26
C28H41ClO8 (540.2489816000001)
7S,8S-4,9,9-trihydroxy-3,3-dimethoxy-8-O-4-neolignan-7-O-beta-D-glucopyranoside|8-O-4-neolignan-7-O-beta-glucopyranoside
20-Deoxy,3,5-dibenzoyl-Ingenol|20-deoxyingenol-3,5-dibenzoate
1-(4-hydroxymethyl-3-methoxyphenyl)-2-<4-(3-beta-D-glucopyranosyloxypropyl)-2-methoxyphenoxy>-1,3-propanediol|1-(4-hydroxymethyl-3-methoxyphenyl)-2-[4-(3-beta-D-glucopyranosyloxypropyl)-2-methoxyphenoxy]-1,3-propanediol
2alpha-angeloyloxy-3alpha-senecioyloxy-3,4-betaH-bacchotricuneatin
Nimbin_(chemical)
Nimbin is a limonoid found in Azadirachta indica. It has a role as a plant metabolite and a pesticide. It is an acetate ester, a limonoid, a member of furans, a cyclic terpene ketone, an enone, a tetracyclic triterpenoid and a methyl ester. Nimbin is a natural product found in Azadirachta indica with data available. A limonoid found in Azadirachta indica.
2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C30H36O9_2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid, 5-(acetyloxy)-2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-6-(methoxycarbonyl)-1,6,9a,10a-tetramethyl-9-oxo-, methyl ester, (2R,3aR,4aS,5R,6R,9aR,10S,10aR)
methyl (1S,2R,4R,8R,9S,10R,13R,15R)-2-(acetyloxy)-13-(furan-3-yl)-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-5,11-diene-4-carboxylate
2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]
2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000849029]
methyl (1S,2R,4R,8R,9S,10R,13R,15R)-2-(acetyloxy)-13-(furan-3-yl)-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-5,11-diene-4-carboxylate_major
methyl (1S,2R,4R,8R,9S,10R,13R,15R)-2-(acetyloxy)-13-(furan-3-yl)-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.0³,?.0¹¹,¹?]hexadeca-5,11-diene-4-carboxylate
Ala His Gln Trp
C25H32N8O6 (540.2444691999999)
Ala His Trp Gln
C25H32N8O6 (540.2444691999999)
Ala Gln His Trp
C25H32N8O6 (540.2444691999999)
Ala Gln Trp His
C25H32N8O6 (540.2444691999999)
Ala Trp His Gln
C25H32N8O6 (540.2444691999999)
Ala Trp Gln His
C25H32N8O6 (540.2444691999999)
Cys Lys Gln Tyr
Cys Lys Tyr Gln
Cys Gln Lys Tyr
Cys Gln Tyr Lys
Cys Tyr Lys Gln
Cys Tyr Gln Lys
Asp Phe Phe Ile
Asp Phe Phe Leu
Asp Phe Ile Phe
Asp Phe Leu Phe
Asp Phe Pro Tyr
Asp Phe Tyr Pro
Asp His Asn Arg
C20H32N10O8 (540.2404472000001)
Asp His Arg Asn
C20H32N10O8 (540.2404472000001)
Asp Ile Phe Phe
Asp Ile Met Tyr
Asp Ile Tyr Met
Asp Leu Phe Phe
Asp Leu Met Tyr
Asp Leu Tyr Met
Asp Met Ile Tyr
Asp Met Leu Tyr
Asp Met Tyr Ile
Asp Met Tyr Leu
Asp Asn His Arg
C20H32N10O8 (540.2404472000001)
Asp Asn Arg His
C20H32N10O8 (540.2404472000001)
Asp Pro Phe Tyr
Asp Pro Tyr Phe
Asp Arg His Asn
C20H32N10O8 (540.2404472000001)
Asp Arg Asn His
C20H32N10O8 (540.2404472000001)
Asp Tyr Phe Pro
Asp Tyr Ile Met
Asp Tyr Leu Met
Asp Tyr Met Ile
Asp Tyr Met Leu
Asp Tyr Pro Phe
Glu Phe Phe Val
Glu Phe Val Phe
Glu His Gln Gln
Glu Met Val Tyr
Glu Met Tyr Val
Glu Gln His Gln
Glu Gln Gln His
Glu Val Phe Phe
Glu Val Met Tyr
Glu Val Tyr Met
Glu Tyr Met Val
Glu Tyr Val Met
Phe Asp Phe Ile
Phe Asp Phe Leu
Phe Asp Ile Phe
Phe Asp Leu Phe
Phe Asp Pro Tyr
Phe Asp Tyr Pro
Phe Glu Phe Val
Phe Glu Val Phe
Phe Phe Asp Ile
Phe Phe Asp Leu
Phe Phe Glu Val
Phe Phe Ile Asp
Phe Phe Leu Asp
Phe Phe Met Pro
Phe Phe Asn Asn
Phe Phe Pro Met
Phe Phe Val Glu
Phe His His Thr
C25H32N8O6 (540.2444691999999)
Phe His Thr His
C25H32N8O6 (540.2444691999999)
Phe Ile Asp Phe
Phe Ile Phe Asp
Phe Ile Met Met
Phe Leu Asp Phe
Phe Leu Phe Asp
Phe Leu Met Met
Phe Met Phe Pro
Phe Met Ile Met
Phe Met Leu Met
Phe Met Met Ile
Phe Met Met Leu
Phe Met Pro Phe
Phe Asn Phe Asn
Phe Asn Asn Phe
Phe Pro Asp Tyr
Phe Pro Phe Met
Phe Pro Met Phe
Phe Pro Tyr Asp
Phe Thr His His
C25H32N8O6 (540.2444691999999)
Phe Val Glu Phe
Phe Val Phe Glu
Phe Tyr Asp Pro
Phe Tyr Pro Asp
His Ala Gln Trp
C25H32N8O6 (540.2444691999999)
His Ala Trp Gln
C25H32N8O6 (540.2444691999999)
His Asp Asn Arg
C20H32N10O8 (540.2404472000001)
His Asp Arg Asn
C20H32N10O8 (540.2404472000001)
His Glu Gln Gln
His Phe His Thr
C25H32N8O6 (540.2444691999999)
His Phe Thr His
C25H32N8O6 (540.2444691999999)
His His Phe Thr
C25H32N8O6 (540.2444691999999)
His His Thr Phe
C25H32N8O6 (540.2444691999999)
His Asn Asp Arg
C20H32N10O8 (540.2404472000001)
His Asn Arg Asp
C20H32N10O8 (540.2404472000001)
His Gln Ala Trp
C25H32N8O6 (540.2444691999999)
His Gln Glu Gln
His Gln Gln Glu
His Gln Trp Ala
C25H32N8O6 (540.2444691999999)
His Arg Asp Asn
C20H32N10O8 (540.2404472000001)
His Arg Asn Asp
C20H32N10O8 (540.2404472000001)
His Thr Phe His
C25H32N8O6 (540.2444691999999)
His Thr His Phe
C25H32N8O6 (540.2444691999999)
His Trp Ala Gln
C25H32N8O6 (540.2444691999999)
His Trp Gln Ala
C25H32N8O6 (540.2444691999999)
Ile Asp Phe Phe
Ile Asp Met Tyr
Ile Asp Tyr Met
Ile Phe Asp Phe
Ile Phe Phe Asp
Ile Phe Met Met
Ile Met Asp Tyr
Ile Met Phe Met
Ile Met Met Phe
Ile Met Tyr Asp
Ile Tyr Asp Met
Ile Tyr Met Asp
Lys Cys Gln Tyr
Lys Cys Tyr Gln
Lys Gln Cys Tyr
Lys Gln Tyr Cys
Lys Tyr Cys Gln
Lys Tyr Gln Cys
Leu Asp Phe Phe
Leu Asp Met Tyr
Leu Asp Tyr Met
Leu Phe Asp Phe
Leu Phe Phe Asp
Leu Phe Met Met
Leu Met Asp Tyr
Leu Met Phe Met
Leu Met Met Phe
Leu Met Tyr Asp
Leu Tyr Asp Met
Leu Tyr Met Asp
Met Asp Ile Tyr
Met Asp Leu Tyr
Met Asp Tyr Ile
Met Asp Tyr Leu
Met Glu Val Tyr
Met Glu Tyr Val
Met Phe Phe Pro
Met Phe Ile Met
Met Phe Leu Met
Met Phe Met Ile
Met Phe Met Leu
Met Phe Pro Phe
Met Ile Asp Tyr
Met Ile Phe Met
Met Ile Met Phe
Met Ile Tyr Asp
Met Leu Asp Tyr
Met Leu Phe Met
Met Leu Met Phe
Met Leu Tyr Asp
Met Met Phe Ile
Met Met Phe Leu
Met Met Ile Phe
Met Met Leu Phe
Met Pro Phe Phe
Met Val Glu Tyr
Met Val Tyr Glu
Met Tyr Asp Ile
Met Tyr Asp Leu
Met Tyr Glu Val
Met Tyr Ile Asp
Met Tyr Leu Asp
Met Tyr Val Glu
Asn Asp His Arg
C20H32N10O8 (540.2404472000001)
Asn Asp Arg His
C20H32N10O8 (540.2404472000001)
Asn Phe Phe Asn
Asn Phe Asn Phe
Asn His Asp Arg
C20H32N10O8 (540.2404472000001)
Asn His Arg Asp
C20H32N10O8 (540.2404472000001)
Asn Asn Phe Phe
Asn Arg Asp His
C20H32N10O8 (540.2404472000001)
Asn Arg His Asp
C20H32N10O8 (540.2404472000001)
Pro Asp Phe Tyr
Pro Asp Tyr Phe
Pro Phe Asp Tyr
Pro Phe Phe Met
Pro Phe Met Phe
Pro Phe Tyr Asp
Pro Met Phe Phe
Pro Val Tyr Tyr
Pro Tyr Asp Phe
Pro Tyr Phe Asp
Pro Tyr Val Tyr
Pro Tyr Tyr Val
Gln Ala His Trp
C25H32N8O6 (540.2444691999999)
Gln Ala Trp His
C25H32N8O6 (540.2444691999999)
Gln Cys Lys Tyr
Gln Cys Tyr Lys
Gln Glu His Gln
Gln Glu Gln His
Gln His Ala Trp
C25H32N8O6 (540.2444691999999)
Gln His Glu Gln
Gln His Gln Glu
Gln His Trp Ala
C25H32N8O6 (540.2444691999999)
Gln Lys Cys Tyr
Gln Lys Tyr Cys
Gln Gln Glu His
Gln Gln His Glu
Gln Trp Ala His
C25H32N8O6 (540.2444691999999)
Gln Trp His Ala
C25H32N8O6 (540.2444691999999)
Gln Tyr Cys Lys
Gln Tyr Lys Cys
Arg Asp His Asn
C20H32N10O8 (540.2404472000001)
Arg Asp Asn His
C20H32N10O8 (540.2404472000001)
Arg His Asp Asn
C20H32N10O8 (540.2404472000001)
Arg His Asn Asp
C20H32N10O8 (540.2404472000001)
Arg Asn Asp His
C20H32N10O8 (540.2404472000001)
Arg Asn His Asp
C20H32N10O8 (540.2404472000001)
Thr Phe His His
C25H32N8O6 (540.2444691999999)
Thr His Phe His
C25H32N8O6 (540.2444691999999)
Thr His His Phe
C25H32N8O6 (540.2444691999999)
Val Glu Phe Phe
Val Glu Met Tyr
Val Glu Tyr Met
Val Phe Glu Phe
Val Phe Phe Glu
Val Met Glu Tyr
Val Met Tyr Glu
Val Pro Tyr Tyr
Val Tyr Glu Met
Val Tyr Met Glu
Val Tyr Pro Tyr
Val Tyr Tyr Pro
Trp Ala His Gln
C25H32N8O6 (540.2444691999999)
Trp Ala Gln His
C25H32N8O6 (540.2444691999999)
Trp His Ala Gln
C25H32N8O6 (540.2444691999999)
Trp His Gln Ala
C25H32N8O6 (540.2444691999999)
Trp Gln Ala His
C25H32N8O6 (540.2444691999999)
Trp Gln His Ala
C25H32N8O6 (540.2444691999999)
Tyr Cys Lys Gln
Tyr Cys Gln Lys
Tyr Asp Phe Pro
Tyr Asp Ile Met
Tyr Asp Leu Met
Tyr Asp Met Ile
Tyr Asp Met Leu
Tyr Asp Pro Phe
Tyr Glu Met Val
Tyr Glu Val Met
Tyr Phe Asp Pro
Tyr Phe Pro Asp
Tyr Ile Asp Met
Tyr Ile Met Asp
Tyr Lys Cys Gln
Tyr Lys Gln Cys
Tyr Leu Asp Met
Tyr Leu Met Asp
Tyr Met Asp Ile
Tyr Met Asp Leu
Tyr Met Glu Val
Tyr Met Ile Asp
Tyr Met Leu Asp
Tyr Met Val Glu
Tyr Pro Asp Phe
Tyr Pro Phe Asp
Tyr Pro Val Tyr
Tyr Pro Tyr Val
Tyr Gln Cys Lys
Tyr Gln Lys Cys
Tyr Val Glu Met
Tyr Val Met Glu
Tyr Val Pro Tyr
Tyr Val Tyr Pro
Tyr Tyr Pro Val
Tyr Tyr Val Pro
17-α, 21-dihydroxy-11,20-dioxo-5-β-pregnan-3-α-yl-β-d-glucuronide
Tetrahydroaldosterone-3-glucuronide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Sambacin
ST 21:2;O5;GlcA
Atorvastatin lactone
Atorvastatin lactone is a proagent form of atorvastatin. Atorvastatin is an orally active 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) reductase inhibitor[1].
2,7-Bis(4-ethylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,5-ditert-butylphenoxy]-3-(trifluoromethyl)aniline
(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
Methyl 1-(3,4-dimethoxyphenyl)-3-(3-ethyl-1-oxopentyl)-4-hydroxy-6,7,8-trimethoxy-2-naphthalenecarboxylate
2-[3-[4-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2S)-2-amino-N-[[(2S,10R,12S)-12,19-dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methyl]propanamide
S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate
1-(2-Methoxyphenyl)-3-[4-[[4-[(2-methoxyphenyl)carbamothioylamino]cyclohexyl]methyl]cyclohexyl]thiourea
5-(2-hydroxy-5-methylbenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide
(4S,5S)-5-[2-(azidomethyl)phenyl]-4-[[2-(azidomethyl)phenyl]methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-oxazole-4-carboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide
(1R)-1-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide
(1S)-1-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
(1R,8E,9Z,14S,15S,17R)-8-ethylidene-15-[(2R)-1-hydroxypropan-2-yl]-17-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadeca-4,9-diene-3,11-dione
20-carboxy-leukotriene B4-(beta-D-glucuronide)(2-)
C26H36O12-2 (540.2206656000001)
4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-alpha-D-Manp2Me-(1->2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-alpha-D-ManpOMe
S-dodecanoyl-4-phosphopantetheine
An S-acyl-4-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4-phosphate with the carboxy group of dodecanoic acid.
methyl 4,6-dideoxy-4-(3-deoxy-D-glycero-tetronamido)-alpha-D-Manp2Me-(1->2)-4,6-dideoxy-4-(3-deoxy-D-glycero-tetronamido)-alpha-D-Manp
An amido disaccharide corresponding to the (2R)-2,4-dihydroxybutanoyl diastereomer of the fragment which mimicks the terminus of the O-polysaccharide of Vibrio cholerae O:1, serotype Ogawa.
20-hydroxy-20-oxoleukotriene B4-20-(beta-D-glucuronide)(2-)
A leukotriene anion obtained by deprotonation of the carboxylic acid functions of 20-hydroxy-20-oxoleukotriene B4-20-(beta-D-glucuronide); major species at pH 7.3.
Velusetrag (hydrochloride)
Velusetrag (TD-5108) hydrochloride is an orally active, potent and selective agonist of serotonin 5-HT4 receptor (5-HT4R), with a pKi of 7.7. Velusetrag hydrochloride exhibits no affinity (Ki>10 μM) for 5-HT2A and 5-HT2B receptors. Velusetrag hydrochloride can be used for the research of gastrointestinal diseases and Parkinson's disease[1][2][3][4][5].
(1s,4r,5r,7s,11r,13s,16s,17s,18s,19r)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-16-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one
(1r,4br,5s,6r,6ar,10ar,10br,12ar)-5-(acetyloxy)-1-(furan-3-yl)-1-hydroxy-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5h,6h,6ah,10bh,11h,12h-naphtho[2,1-f]isochromen-6-yl acetate
methyl (3s,4as,5r,6r,6ar,7s,11as,11br)-6-(acetyloxy)-3-(benzoyloxy)-4a,5-dihydroxy-4,4,11b-trimethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-7-carboxylate
(4r,4as,5r,6ar,11as,11br)-4-[(benzoyloxy)methyl]-4a-hydroxy-4,11b-dimethyl-7-methylidene-1h,2h,3h,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-5-yl benzoate
4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one
(2r,3r,4s,5s,6r)-2-[3-(4-{[(1s,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
20-(acetyloxy)-17-(furan-3-yl)-8,8,12,18-tetramethyl-4,11-dioxo-7,14-dioxahexacyclo[10.8.0.0²,⁶.0²,⁹.0¹³,¹⁵.0¹³,¹⁸]icosan-19-yl acetate
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2r)-4-[(1s)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxy}oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
4,7-bis[(acetyloxy)methyl]-7-hydroxy-6-[(3-methylbutanoyl)oxy]-1h,6h,7ah-cyclopenta[c]pyran-1-yl 3-(acetyloxy)-3-methylbutanoate
10-acetoxy-1-acevaltratehydrin
{"Ingredient_id": "HBIN000041","Ingredient_name": "10-acetoxy-1-acevaltratehydrin","Alias": "NA","Ingredient_formula": "C26H36O12","Ingredient_Smile": "CC(C)CC(=O)OC1C=C2C(C1(COC(=O)C)O)C(OC=C2COC(=O)C)OC(=O)CC(C)(C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "121","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,9,9'-trihydroxy-3,3'-dimethoxy-8-o-4'-neo-lignan-4-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN013000","Ingredient_name": "7,9,9'-trihydroxy-3,3'-dimethoxy-8-o-4'-neo-lignan-4-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C26H36O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21698","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}