Exact Mass: 490.2256
Exact Mass Matches: 490.2256
Found 500 metabolites which its exact mass value is equals to given mass value 490.2256
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
alpha-Crocetin glucosyl ester
Beta-D-glucosyl crocetin is a dicarboxylic acid monoester resulting from the formal condensation of one of the carboxylic acid groups of crocetin with the anomeric hydroxy group of beta-D-glucopyranose. It is a dicarboxylic acid monoester and a beta-D-glucoside. It is functionally related to a crocetin and a beta-D-glucose. It is a conjugate acid of a beta-D-glucosyl crocetin(1-). beta-D-glucosyl crocetin is a natural product found in Gardenia jasminoides and Crocus sativus with data available. Alpha-Crocetin glucosyl ester is found in herbs and spices. Alpha-Crocetin glucosyl ester is isolated from saffron. Isolated from saffron [DFC]. alpha-Crocetin glucosyl ester is found in saffron and herbs and spices.
Glimepiride
Glimepiride is only found in individuals that have used or taken this drug. It is the first III generation sulphonyl urea it is a very potent sulphonyl urea with long duration of action.The mechanism of action of glimepiride in lowering blood glucose appears to be dependent on stimulating the release of insulin from functioning pancreatic beta cells, and increasing sensitivity of peripheral tissues to insulin. Glimepiride likely binds to ATP-sensitive potassium channel receptors on the pancreatic cell surface, reducing potassium conductance and causing depolarization of the membrane. Membrane depolarization stimulates calcium ion influx through voltage-sensitive calcium channels. This increase in intracellular calcium ion concentration induces the secretion of insulin. A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D007004 - Hypoglycemic Agents
Deacetylnomilinic acid
Deacetylnomilinic acid is found in citrus. Deacetylnomilinic acid is a constituent of the extract of grapefruit seeds Constituent of the extract of grapefruit seeds. Deacetylnomilinic acid is found in citrus.
Austalide F
Austalide F is a mycotoxin of Aspergillus ustu Mycotoxin of Aspergillus ustus
4-Oxo-9-cis-retinoyl-beta-glucuronide
This compound belongs to the family of Diterpene Glycosides. These are diterpenes in which an isoprene unit is glycosylated.
Estradiol acetate glucuronide
Estradiol acetate glucuronide belongs to the class of organic compounds known as steroid glucuronide conjugates. These are sterol lipids containing a glucuronide moiety linked to the steroid skeleton.
4-Ketoretinoic acid glucuronide
4-Ketoretinoic acid glucuronide belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated.
Niludipine
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Bis(2-propoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
PA(2:0/18:2(10E,12Z)+=O(9))
PA(2:0/18:2(10E,12Z)+=O(9)) 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(2:0/18:2(10E,12Z)+=O(9)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 9-oxo-octadecadienoyl 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(18:2(10E,12Z)+=O(9)/2:0)
PA(18:2(10E,12Z)+=O(9)/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(18:2(10E,12Z)+=O(9)/2:0), in particular, consists of one chain of one 9-oxo-octadecadienoyl 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(2:0/18:2(9Z,11E)+=O(13))
PA(2:0/18:2(9Z,11E)+=O(13)) 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(2:0/18:2(9Z,11E)+=O(13)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 13-oxo-octadecadienoyl 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(18:2(9Z,11E)+=O(13)/2:0)
PA(18:2(9Z,11E)+=O(13)/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(18:2(9Z,11E)+=O(13)/2:0), in particular, consists of one chain of one 13-oxo-octadecadienoyl 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(2:0/18:3(10,12,15)-OH(9))
PA(2:0/18:3(10,12,15)-OH(9)) 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(2:0/18:3(10,12,15)-OH(9)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 9-hydroxyoctadecatrienoyl 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(18:3(10,12,15)-OH(9)/2:0)
PA(18:3(10,12,15)-OH(9)/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(18:3(10,12,15)-OH(9)/2:0), in particular, consists of one chain of one 9-hydroxyoctadecatrienoyl 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(2:0/18:3(9,11,15)-OH(13))
PA(2:0/18:3(9,11,15)-OH(13)) 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(2:0/18:3(9,11,15)-OH(13)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 13-hydroxyoctadecatrienoyl 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(18:3(9,11,15)-OH(13)/2:0)
PA(18:3(9,11,15)-OH(13)/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(18:3(9,11,15)-OH(13)/2:0), in particular, consists of one chain of one 13-hydroxyoctadecatrienoyl 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).
Terrequinone A
A bisindole alkaloid that is quinone bearing a hydroxy substituent at position 2, a 3,3-dimethylallyl group at position 5 and two indol-3-yl groups at positions 3 and 6, one of which is carrying a 1,1-dimethylallyl group at position 2.
[3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-Octahydro-2,2,5a,9-tetramethyl-, 5,10-diacetate 6-benzoate H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol
Adenanthin
Adenanthin is a natural product found in Isodon tenuifolius, Isodon adenanthus, and other organisms with data available.
Deacetylnomilinic acid
(1R,2R,4S,7S,8R,9R,10S,11R,12S,13S,14R,17R,18R,19R)-8-(acetyloxy)-10,19-dihydroxy-1,9,18-trimethyl-15-oxo-16,20-dioxahexacyclo[15.3.2.0²,¹³.0⁴,¹².0⁷,¹¹.0¹⁴,¹⁹]docos-5-ene-5-carboxylic acid
2-Ac-(2beta,3beta,5beta,11alpha,14beta)-2,3,5,11,14-Pentahydroxy-12-oxobufa-20,22-dienolide
3-Ac-(2beta,3beta,5beta,11alpha,14beta)-2,3,5,11,14-Pentahydroxy-12-oxobufa-20,22-dienolide
[(1R,2R,4R,6S,8S,9S,10S,11S,13S)-2,8-diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.0^{1,10.0^{4,9]hexadecanyl] acetate
Acetylexidonin
Acetylexidonin is a natural product found in Isodon rubescens with data available.
(1S,4S,5S,6R,7R,8S,9R,10S)-1,6-diacetoxy-9-benzoyloxy-4,8-dihydroxy-dihydro-beta-agarofuran
(- )-(3S,7S)-ericanone 3-O-beta-D-xylopyranoside|ericanone 3-O-beta-D-xylopyranoside
(1R*,2R*,3R*,5Z,7S*,8(17)E,10R*,11R*,12S*,14S*)-2,3,14-triacetoxy-11,12-epoxybriara-5,8(17)-dien-18-one|(1R*,2R*,3R*,5Z,7S*,8(17)Z,10R*,11R*,12S*,14S*)-2,3,14-triacetoxy-11,12-epoxybriara-5,8(17)-dien-18-one
methyl rel-(1R,4aR,8R)-7-(1-(methoxycarbonyl)vinyl)-5,8-diacetoxy-1,2,3,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a-dimethyl-2-oxophenanthrene-1-carboxylate
(2S,4S,5S,7S,8E,10S,11R)-7-hydroxy-4,14,15,15-tetramethyl-3,13-dioxotricyclo[9.3.1.1(4,8)]hexadeca-1(14),8-diene-2,5,10-triyl triacetate|2alpha,7beta,10alpha-triacetoxy-5alpha-hydroxy-2(3->20)-abeo-taxa-4(20),11-dien-9,13-dione
juncenolide K|rel-(2R,3aS,4Z,8S,8aS,9S,12aS,13S)-8,9,13-tris(acetyloxy)-3a,6,7,8,8a,9,10,11,12a,13-decahydro-1,5,8a-trimethylspiro[benzo[4,5]cyclodeca[1,2-b]furan-12(2H),2-oxiran]-2-one
3beta,15beta,19-triacetoxy-6-oxo-6,7-seco-ent-kaur-16-en-7,20-olide|maoesin F
glimepiride
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D007004 - Hypoglycemic Agents CONFIDENCE standard compound; INTERNAL_ID 2355 CONFIDENCE standard compound; INTERNAL_ID 8512
C26H34O9_12H-3,5a-Epoxy-5H-furo[3,4-i]oxepino[4,3-a]xanthen-12-one, 1,2,3,6,7,7a,10,14,14a,14b-decahydro-6-hydroxy-5-(hydroxymethyl)-3,13-dimethoxy-5,7a,9,14b-tetramethyl
C26H34O9_(1R,2R,4S,7S,8R,9R,10S,11R,12S,13S,14R,17R,18R,19R)-8-Acetoxy-10,19-dihydroxy-1,9,18-trimethyl-15-oxo-16,20-dioxahexacyclo[15.3.2.0~2,13~.0~4,12~.0~7,11~.0~14,19~]docos-5-ene-5-carboxylic acid
C26H34O9_12H-3,5a-Epoxy-5H-furo[3,4-i]oxepino[4,3-a]xanthen-12-one, 1,2,3,6,7,7a,10,14,14a,14b-decahydro-2,6-dihydroxy-3,13-dimethoxy-5,5,7a,9,14b-pentamethyl
Ala Met Asn Arg
Ala Met Arg Asn
Ala Asn Met Arg
Ala Asn Arg Met
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Cys Ile Gln Gln
Cys Leu Gln Gln
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Cys Gln Ile Gln
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Cys Gln Gln Ile
Cys Gln Gln Leu
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Cys Val Arg Asn
Glu Glu Ile Thr
Glu Glu Leu Thr
Glu Glu Thr Ile
Glu Glu Thr Leu
Glu Ile Glu Thr
Glu Ile Thr Glu
Glu Leu Glu Thr
Glu Leu Thr Glu
Glu Thr Glu Ile
Glu Thr Glu Leu
Glu Thr Ile Glu
Glu Thr Leu Glu
Phe Met Pro Pro
Phe Pro Met Pro
Phe Pro Pro Met
Gly Met Gln Arg
Gly Met Arg Gln
Gly Gln Met Arg
Gly Gln Arg Met
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Gly Arg Gln Met
His His Pro Thr
His His Thr Pro
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Ile Cys Gln Gln
Ile Glu Glu Thr
Ile Glu Thr Glu
Ile Met Met Pro
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Ile Met Pro Met
Ile Asn Met Asn
Ile Asn Asn Met
Ile Pro Met Met
Ile Gln Cys Gln
Ile Gln Gln Cys
Ile Thr Glu Glu
Leu Cys Gln Gln
Leu Glu Glu Thr
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Leu Met Met Pro
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Leu Met Pro Met
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Leu Asn Asn Met
Leu Pro Met Met
Leu Gln Cys Gln
Leu Gln Gln Cys
Leu Thr Glu Glu
Met Ala Asn Arg
Met Ala Arg Asn
Met Phe Pro Pro
Met Gly Gln Arg
Met Gly Arg Gln
Met Ile Met Pro
Met Ile Asn Asn
Met Ile Pro Met
Met Leu Met Pro
Met Leu Asn Asn
Met Leu Pro Met
Met Met Ile Pro
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Met Asn Ala Arg
Met Asn Ile Asn
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Met Asn Asn Ile
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Met Asn Arg Ala
Met Asn Val Gln
Met Pro Phe Pro
Met Pro Ile Met
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Met Gln Gly Arg
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Met Gln Val Asn
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Met Arg Gly Gln
Met Arg Asn Ala
Met Arg Gln Gly
Met Val Asn Gln
Met Val Gln Asn
Asn Ala Met Arg
Asn Ala Arg Met
Asn Cys Arg Val
Asn Cys Val Arg
Asn Ile Met Asn
Asn Ile Asn Met
Asn Leu Met Asn
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Asn Met Ala Arg
Asn Met Ile Asn
Asn Met Leu Asn
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Asn Met Gln Val
Asn Met Arg Ala
Asn Met Val Gln
Asn Asn Ile Met
Asn Asn Leu Met
Asn Asn Met Ile
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Asn Arg Ala Met
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Asn Arg Met Ala
Asn Arg Val Cys
Asn Val Cys Arg
Asn Val Met Gln
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Pro Phe Met Pro
Pro Phe Pro Met
Pro His His Thr
Pro His Thr His
Pro Ile Met Met
Pro Leu Met Met
Pro Met Phe Pro
Pro Met Ile Met
Pro Met Leu Met
Pro Met Met Ile
Pro Met Met Leu
Pro Met Pro Phe
Pro Pro Phe Met
Pro Pro Met Phe
Pro Thr His His
Gln Cys Ile Gln
Gln Cys Leu Gln
Gln Cys Gln Ile
Gln Cys Gln Leu
Gln Gly Met Arg
Gln Gly Arg Met
Gln Ile Cys Gln
Gln Ile Gln Cys
Gln Leu Cys Gln
Gln Leu Gln Cys
Gln Met Gly Arg
Gln Met Asn Val
Gln Met Arg Gly
Gln Met Val Asn
Gln Asn Met Val
Gln Asn Val Met
Gln Gln Cys Ile
Gln Gln Cys Leu
Gln Gln Ile Cys
Gln Gln Leu Cys
Gln Arg Gly Met
Gln Arg Met Gly
Gln Val Met Asn
Gln Val Asn Met
Arg Ala Met Asn
Arg Ala Asn Met
Arg Cys Asn Val
Arg Cys Val Asn
Arg Gly Met Gln
Arg Gly Gln Met
Arg Met Ala Asn
Arg Met Gly Gln
Arg Met Asn Ala
Arg Met Gln Gly
Arg Asn Ala Met
Arg Asn Cys Val
Arg Asn Met Ala
Arg Asn Val Cys
Arg Gln Gly Met
Arg Gln Met Gly
Arg Val Cys Asn
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Thr Ala His Tyr
Thr Ala Asn Trp
Thr Ala Trp Asn
Thr Ala Tyr His
Thr Glu Glu Ile
Thr Glu Glu Leu
Thr Glu Ile Glu
Thr Glu Leu Glu
Thr Phe His Ser
Thr Phe Ser His
Thr Gly Gln Trp
Thr Gly Trp Gln
Thr His Ala Tyr
Thr His Phe Ser
Thr His His Pro
Thr His Pro His
Thr His Ser Phe
Thr His Tyr Ala
Thr Ile Glu Glu
Thr Leu Glu Glu
Thr Asn Ala Trp
Thr Asn Trp Ala
Thr Pro His His
Thr Gln Gly Trp
Thr Gln Trp Gly
Thr Ser Phe His
Thr Ser His Phe
Thr Trp Ala Asn
Thr Trp Gly Gln
Thr Trp Asn Ala
Thr Trp Gln Gly
Thr Tyr Ala His
Thr Tyr His Ala
Val Cys Asn Arg
Val Cys Arg Asn
Val Met Asn Gln
Val Met Gln Asn
Val Asn Cys Arg
Val Asn Met Gln
Val Asn Gln Met
Val Asn Arg Cys
Val Gln Met Asn
Val Gln Asn Met
Val Arg Cys Asn
Val Arg Asn Cys
Trp Ala Asn Thr
Trp Ala Gln Ser
Trp Ala Ser Gln
Trp Ala Thr Asn
Trp Gly Gln Thr
Trp Gly Thr Gln
Trp Asn Ala Thr
Trp Asn Thr Ala
Trp Gln Ala Ser
Trp Gln Gly Thr
Trp Gln Ser Ala
Trp Gln Thr Gly
Trp Ser Ala Gln
Trp Ser Gln Ala
Trp Thr Ala Asn
Trp Thr Gly Gln
Trp Thr Asn Ala
Trp Thr Gln Gly
Tyr Ala His Thr
Tyr Ala Thr His
Tyr His Ala Thr
Tyr His Thr Ala
Tyr Thr Ala His
Tyr Thr His Ala
Austalide F
Crocetin glucosyl ester
2,6-dihydroxy-3,13-dimethoxy-5,5,7a,9,14b-pentamethyl-1,2,3,6,7,7a,10,14,14a,14b-decahydro-5H,12H-3,5a-epoxyfuro[3,4-i]oxepino[4,3-a]xanthen-12-one
Rhodamine 101 inner salt
butane-1,4-diol,hexanedioic acid,5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene
Ivabradine metabolite N-Demethyl Ivabradine (hydrochloride)
N-((1S)-2-(Dimethylamino)-1-phenylethyl)-6,6-dimethyl-3-((2-methylthieno(3,2-d)pyrimidin-4-yl)amino)-4,6-dihydropyrrolo(3,4-C)pyrazole-5(1H)-carboxamide
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor
2-[5-(carboxymethyl)-4-[1-(furan-3-yl)-5,8a-dimethyl-3-oxo-4,6,7,8-tetrahydro-1H-isochromen-6-yl]-4-(hydroxymethyl)-2,2-dimethyloxolan-3-yl]acetic acid
4-hydroxy-3-(1H-indol-3-yl)-5-(3-methylbut-2-enyl)-6-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-3,5-diene-1,2-dione
[(2R)-1-acetyloxy-3-phosphonooxypropan-2-yl] (10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoate
[(2R)-2-acetyloxy-3-phosphonooxypropyl] (10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoate
[(2R)-1-acetyloxy-3-phosphonooxypropan-2-yl] (9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoate
[(2R)-2-acetyloxy-3-phosphonooxypropyl] (9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoate
[(1S,2S,4S,5R,7E,9S,11E,14R,15R)-5,14-diacetyloxy-4,8,12-trimethyl-16-methylidene-17-oxo-3,18-dioxatricyclo[13.3.0.02,4]octadeca-7,11-dien-9-yl] acetate
[(8R,9R,10S)-9-[4-(2-methylphenyl)phenyl]-6-(phenylmethyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9S,10R)-9-[4-(3-methylphenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9S,10R)-9-[4-(2-methylphenyl)phenyl]-6-(phenylmethyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
(1S,9R,10R,11R)-5-(cyclopenten-1-yl)-10-(hydroxymethyl)-11-(morpholine-4-carbonyl)-12-(pyridine-4-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
(1S,9R,10R,11R)-5-(cyclohexen-1-yl)-10-(hydroxymethyl)-11-(4-methylpiperazine-1-carbonyl)-12-methylsulfonyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
2-(dimethylamino)-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
[(8S,9R,10S)-9-[4-(2-methylphenyl)phenyl]-6-(phenylmethyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
2-(dimethylamino)-N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
2-(dimethylamino)-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
2-(dimethylamino)-N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
2-(dimethylamino)-N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
2-(dimethylamino)-N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
2-(dimethylamino)-N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
2-(dimethylamino)-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
(1R,9S,10S,11S)-5-(cyclopenten-1-yl)-10-(hydroxymethyl)-11-(morpholine-4-carbonyl)-12-(pyridine-4-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
(1S,9R,10R,11R)-10-(hydroxymethyl)-11-(piperidine-1-carbonyl)-5-pyridin-4-yl-12-(3,3,3-trifluoropropyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
(1R,9S,10S,11S)-10-(hydroxymethyl)-11-(piperidine-1-carbonyl)-5-pyridin-4-yl-12-(3,3,3-trifluoropropyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
(1R,9S,10S,11S)-5-(cyclohexen-1-yl)-10-(hydroxymethyl)-11-(4-methylpiperazine-1-carbonyl)-12-methylsulfonyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
[(8R,9R,10R)-9-[4-(2-methylphenyl)phenyl]-6-(phenylmethyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9S,10R)-9-[4-(2-methylphenyl)phenyl]-6-(phenylmethyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9S,10S)-9-[4-(2-methylphenyl)phenyl]-6-(phenylmethyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
(1S)-N-cyclopentyl-1-(hydroxymethyl)-7-methoxy-1-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
[(1S,2S,5S,8S,9R,10S,11R,12S,15R)-10,15-diacetyloxy-9-hydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
5-(2,3-Dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrrolidine-2,3-dione
(1S,9R,10R,11R)-10-(hydroxymethyl)-6-oxo-5-[(Z)-prop-1-enyl]-N-(2-pyridin-4-ylethyl)-12-(3,3,3-trifluoropropyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1R,9S,10S,11S)-10-(hydroxymethyl)-6-oxo-5-[(Z)-prop-1-enyl]-N-(2-pyridin-4-ylethyl)-12-(3,3,3-trifluoropropyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
12-Methyl-16-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-8,15-dioxahexacyclo[14.2.1.114,17.01,13.04,12.05,9]icosa-5(9),6-dien-10-one
beta-D-glucosyl crocetin
Beta-D-glucosyl crocetin is a dicarboxylic acid monoester resulting from the formal condensation of one of the carboxylic acid groups of crocetin with the anomeric hydroxy group of beta-D-glucopyranose. It is a dicarboxylic acid monoester and a beta-D-glucoside. It is functionally related to a crocetin and a beta-D-glucose. It is a conjugate acid of a beta-D-glucosyl crocetin(1-). beta-D-glucosyl crocetin is a natural product found in Gardenia jasminoides and Crocus sativus with data available.
1-O-(4-oxoretinoyl)-beta-D-glucuronic acid
A ketoretinoic glucuronide obtained by the glycosylation of the carboxy group of all-trans-4-oxoretinoic acid with beta-glucuronic acid.
crassolide
A cembrane diterpenoid isolated from Lobophytum michaelae and has been shown to exhibit cytotoxic activity.
4-(beta-D-glucopyranuronosyloxy)retinoate(2-)
A retinoid glucosiduronic acid anion obtained by deprotonation of the carboxy groups of 4-(beta-D-glucopyranuronosyloxy)retinoic acid; major species at pH 7.3.
2,8-bis(acetyloxy)-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate
2,10-bis(acetyloxy)-7-hydroxy-4,14,15,15-tetramethyl-3,13-dioxotricyclo[9.3.1.1⁴,⁸]hexadeca-1(14),8-dien-5-yl acetate
(1r,2r,4s,7r,8s,11r,12r,13s,16r)-7-[(5r)-5-hydroxy-2-oxo-5h-furan-3-yl]-13-methoxy-1,8,12,13,15,15-hexamethyl-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecane-5,18-dione
(1r,2r,4r,6s,8s,9s,10s,11s,13s)-2,6-bis(acetyloxy)-8-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate
(1r,1's,2s,3r,4s,6's,9'r)-4,11'-bis(acetyloxy)-2-formyl-3-methyl-10'-methylidene-2'-oxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0¹,⁶]dodecan]-3-ylmethyl acetate
(1r,2r,4s,15s,16s,17r,20s)-2,15-dihydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.0¹,¹⁷.0⁴,¹⁶.0⁶,¹⁴.0⁸,¹²]tricosa-6(14),7,12-trien-11-one
methyl (1r,4ar,5r,7s,8r,10as)-5,8-bis(acetyloxy)-7-(3-methoxy-3-oxoprop-1-en-2-yl)-1,4a-dimethyl-2-oxo-4,5,6,7,8,9,10,10a-octahydro-3h-phenanthrene-1-carboxylate
(1r,2r,3r,5r,6s,8s,9r,10s,11r,12r)-9,10-bis(acetyloxy)-12-hydroxy-2,5,6,12-tetramethyl-7,16-dioxapentacyclo[9.7.0.0²,⁸.0⁶,⁸.0¹³,¹⁷]octadeca-13(17),14-dien-3-yl acetate
11-o-β-d-xylopyranosylmyricanol
{"Ingredient_id": "HBIN000478","Ingredient_name": "11-o-\u03b2-d-xylopyranosylmyricanol","Alias": "NA","Ingredient_formula": "C26H34O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "22821","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acetylexidonin
{"Ingredient_id": "HBIN014473","Ingredient_name": "acetylexidonin","Alias": "NA","Ingredient_formula": "C26H34O9","Ingredient_Smile": "CC(=O)OCC1C(CCC(C12COC(=O)C34C2C(CC(C3)C(=C)C4=O)OC(=O)C)OC(=O)C)(C)C","Ingredient_weight": "490.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "393","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102004752","DrugBank_id": "NA"}