Exact Mass: 574.3438436
Exact Mass Matches: 574.3438436
Found 470 metabolites which its exact mass value is equals to given mass value 574.3438436,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
CucurbitacinA
Cucurbitacin A is a cucurbitacin. Cucurbitacin A is a natural product found in Hintonia standleyana, Cucumis prophetarum, and other organisms with data available.
Ganoderic acid K
Ganoderic acid K is found in mushrooms. Ganoderic acid K is a constituent of Ganoderma lucidum (reishi) Constituent of Ganoderma lucidum (reishi). Ganoderic acid K is found in mushrooms.
Ganoderic acid alpha
Ganoderic acid alpha is found in mushrooms. Ganoderic acid alpha is a constituent of Ganoderma lucidum (reishi). Constituent of Ganoderma lucidum (reishi). Ganoderic acid alpha is found in mushrooms.
3-Benzoyloxy-6-oxo-12-ursen-28-oic acid
3-Benzoyloxy-6-oxo-12-ursen-28-oic acid is found in fruits. 3-Benzoyloxy-6-oxo-12-ursen-28-oic acid is a constituent of the famine food Momordica dioica. Constituent of the famine food Momordica dioica. 3-Benzoyloxy-6-oxo-12-ursen-28-oic acid is found in fruits.
3-Benzoyloxy-11-oxo-12-ursen-28-oic acid
3-Benzoyloxy-11-oxo-12-ursen-28-oic acid is found in fruits. 3-Benzoyloxy-11-oxo-12-ursen-28-oic acid is a constituent of the famine food Momordica dioica. Constituent of the famine food Momordica dioica. 3-Benzoyloxy-11-oxo-12-ursen-28-oic acid is found in fruits.
(2R)-2-[[(1R,3S,4S)-3-[[4-(5-Benzyl-2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid
Phorbol myristate
Phorbol-12-monomyristate
PA(8:0/18:2(10E,12Z)+=O(9))
PA(8:0/18:2(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(8:0/18:2(10E,12Z)+=O(9)), in particular, consists of one chain of one octanoyl 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)/8:0)
PA(18:2(10E,12Z)+=O(9)/8:0) 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)/8:0), in particular, consists of one chain of one 9-oxo-octadecadienoyl at the C-1 position and one chain of octanoyl 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(8:0/18:2(9Z,11E)+=O(13))
PA(8:0/18:2(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(8:0/18:2(9Z,11E)+=O(13)), in particular, consists of one chain of one octanoyl 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)/8:0)
PA(18:2(9Z,11E)+=O(13)/8:0) 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)/8:0), in particular, consists of one chain of one 13-oxo-octadecadienoyl at the C-1 position and one chain of octanoyl 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(8:0/18:3(10,12,15)-OH(9))
PA(8:0/18:3(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(8:0/18:3(10,12,15)-OH(9)), in particular, consists of one chain of one octanoyl 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)/8:0)
PA(18:3(10,12,15)-OH(9)/8:0) 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)/8:0), in particular, consists of one chain of one 9-hydroxyoctadecatrienoyl at the C-1 position and one chain of octanoyl 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(8:0/18:3(9,11,15)-OH(13))
PA(8:0/18:3(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(8:0/18:3(9,11,15)-OH(13)), in particular, consists of one chain of one octanoyl 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)/8:0)
PA(18:3(9,11,15)-OH(13)/8:0) 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)/8:0), in particular, consists of one chain of one 13-hydroxyoctadecatrienoyl at the C-1 position and one chain of octanoyl 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).
Cucurbitacin A
Cucurbitacin a is a member of the class of compounds known as cucurbitacins. Cucurbitacins are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions. Cucurbitacin a is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cucurbitacin a can be found in cucumber, which makes cucurbitacin a a potential biomarker for the consumption of this food product.
solasodine 3-O-beta-D-glucopyranoside
Solasodine 3-o-beta-d-glucopyranoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Solasodine 3-o-beta-d-glucopyranoside can be found in a number of food items such as black crowberry, canada blueberry, fig, and cherry tomato, which makes solasodine 3-o-beta-d-glucopyranoside a potential biomarker for the consumption of these food products.
Spirostan-2,3,27-triol, triacetate, (2.alpha.,3.beta.,5.alpha.,25S)-
5beta,6beta-epoxygorgostane-1alpha,3beta,11alpha,15alpha-tetrol 11,15-diacetate
1-benzoyl-2-methoxy-8,8-dimethyl-4,5-bis(3-methylbut-2-enyl)-7-[(3-methyl-4-acetoxy-but-2-enyl)]endo-bicyclo[3.3.1]non-2-ene-4,9-dione
3beta-O-(2-O-acetyl-alpha-L-thevetosyl)-14beta-hydroxy-7-en-5beta-card-20(22)-enolide|3??-O-(2-O-Acetyl-??-L-thevetosyl)-14??-hydroxy-7-en-5??-card-20(22)-enolide|7,8-dehydrocerberin
15alpha-hydroxy-16-dehydroxy-16(24)-en-foetidinol-3-O-beta-D-xylopyranoside
gorgost-5-ene-3beta,7alpha,11alpha,12beta,15alpha-pentol 11,15-diacetate
(22R,24xi)-24-methylcholest-5-en-3beta,22,25,28-tetraol-3,22,28-triacetate
6-O-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]-beta-D-fructofuranosyl-(2->1)-alpha-D-glucopyranoside
12-O-decanoyl-7-oxo-5-ene-phorbol-13-acetate|12-O-neodecanoyl-7-oxo-5-enephorbol-13-acetate|daphwanin
12alpha-acetoxy-16beta-(3-hydroxypentanoyloxy)-20,24-dimethyl-24-oxoscalaran-25-al
3beta-O-(2-O-acetyl-alpha-L-acofriosyl)-16-anhydrogitoxigenin|vallarisoside
3alpha,22alpha-diacetoxy-21alpha,29-dihydroxy-20beta-methoxy-30-norolean-12-ene
3-hydroxy-3,5-dimethylheptanoic acid rel-(1R,4R,4aR,7aR,8aR,10S,11S,11aR,12aR,13aR)-1,2,4,4a,5,7a,8,8a,9,10,11,11a,12,12a,13,13a-hexadecahydro-1,13a-dihydroxy-4,7-dimethyl-13-methylene-11-(1-methylethyl)-2-oxoindeno[5,6:4,5]cycloocta[1,2-c]pyran-10...
gorgost-5-ene-3beta,7alpha,11alpha,12beta,15alpha-pentol 12,15-diacetate
Ganoderic acid alpha
Ganoderic Acid K
Cyclosieversigenin Derivative: 3,6-Di-Ac
SubCategory_DNP: : Triterpenoids
MK-578
CONFIDENCE standard compound; INTERNAL_ID 1218; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3568; ORIGINAL_PRECURSOR_SCAN_NO 3566 CONFIDENCE standard compound; INTERNAL_ID 1218; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3544; ORIGINAL_PRECURSOR_SCAN_NO 3541 CONFIDENCE standard compound; INTERNAL_ID 1218; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3586; ORIGINAL_PRECURSOR_SCAN_NO 3584 CONFIDENCE standard compound; INTERNAL_ID 1218; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3537; ORIGINAL_PRECURSOR_SCAN_NO 3535 CONFIDENCE standard compound; INTERNAL_ID 1218; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3552; ORIGINAL_PRECURSOR_SCAN_NO 3550 CONFIDENCE standard compound; INTERNAL_ID 1218; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3592; ORIGINAL_PRECURSOR_SCAN_NO 3591 CONFIDENCE standard compound; INTERNAL_ID 1218; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7584; ORIGINAL_PRECURSOR_SCAN_NO 7580 CONFIDENCE standard compound; INTERNAL_ID 1218; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7597; ORIGINAL_PRECURSOR_SCAN_NO 7596 CONFIDENCE standard compound; INTERNAL_ID 1218; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7619; ORIGINAL_PRECURSOR_SCAN_NO 7617 CONFIDENCE standard compound; INTERNAL_ID 1218; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7604; ORIGINAL_PRECURSOR_SCAN_NO 7602 CONFIDENCE standard compound; INTERNAL_ID 1218; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7625; ORIGINAL_PRECURSOR_SCAN_NO 7623 CONFIDENCE standard compound; INTERNAL_ID 1218; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7627; ORIGINAL_PRECURSOR_SCAN_NO 7623
Glu Ile Lys Trp
Glu Ile Trp Lys
Glu Lys Ile Trp
Glu Lys Leu Trp
Glu Lys Trp Ile
Glu Lys Trp Leu
Glu Leu Lys Trp
Glu Leu Trp Lys
Glu Trp Ile Lys
Glu Trp Lys Ile
Glu Trp Lys Leu
Glu Trp Leu Lys
Phe Pro Arg Arg
Phe Arg Pro Arg
Phe Arg Arg Pro
His Lys Lys Tyr
His Lys Tyr Lys
His Tyr Lys Lys
Ile Glu Lys Trp
Ile Glu Trp Lys
Ile Lys Glu Trp
Ile Lys Trp Glu
Ile Met Arg Arg
Ile Arg Met Arg
Ile Arg Arg Met
Ile Arg Thr Trp
Ile Arg Trp Thr
Ile Thr Arg Trp
Ile Thr Trp Arg
Ile Trp Glu Lys
Ile Trp Lys Glu
Ile Trp Arg Thr
Ile Trp Thr Arg
Lys Glu Ile Trp
Lys Glu Leu Trp
Lys Glu Trp Ile
Lys Glu Trp Leu
Lys His Lys Tyr
Lys His Tyr Lys
Lys Ile Glu Trp
Lys Ile Trp Glu
Lys Lys His Tyr
Lys Lys Asn Trp
Lys Lys Trp Asn
Lys Lys Tyr His
Lys Leu Glu Trp
Lys Leu Trp Glu
Lys Asn Lys Trp
Lys Asn Trp Lys
Lys Trp Glu Ile
Lys Trp Glu Leu
Lys Trp Ile Glu
Lys Trp Lys Asn
Lys Trp Leu Glu
Lys Trp Asn Lys
Lys Tyr His Lys
Lys Tyr Lys His
Leu Glu Lys Trp
Leu Glu Trp Lys
Leu Lys Glu Trp
Leu Lys Trp Glu
Leu Met Arg Arg
Leu Arg Met Arg
Leu Arg Arg Met
Leu Arg Thr Trp
Leu Arg Trp Thr
Leu Thr Arg Trp
Leu Thr Trp Arg
Leu Trp Glu Lys
Leu Trp Lys Glu
Leu Trp Arg Thr
Leu Trp Thr Arg
Met Ile Arg Arg
Met Leu Arg Arg
Met Arg Ile Arg
Met Arg Leu Arg
Met Arg Arg Ile
Met Arg Arg Leu
Asn Lys Lys Trp
Asn Lys Trp Lys
Asn Trp Lys Lys
Pro Phe Arg Arg
Pro Arg Phe Arg
Pro Arg Arg Phe
Arg Phe Pro Arg
Arg Phe Arg Pro
Arg Ile Met Arg
Arg Ile Arg Met
Arg Ile Thr Trp
Arg Ile Trp Thr
Arg Leu Met Arg
Arg Leu Arg Met
Arg Leu Thr Trp
Arg Leu Trp Thr
Arg Met Ile Arg
Arg Met Leu Arg
Arg Met Arg Ile
Arg Met Arg Leu
Arg Pro Phe Arg
Arg Pro Arg Phe
Arg Arg Phe Pro
Arg Arg Ile Met
Arg Arg Leu Met
Arg Arg Met Ile
Arg Arg Met Leu
Arg Arg Pro Phe
Arg Thr Ile Trp
Arg Thr Leu Trp
Arg Thr Trp Ile
Arg Thr Trp Leu
Arg Trp Ile Thr
Arg Trp Leu Thr
Arg Trp Thr Ile
Arg Trp Thr Leu
Thr Ile Arg Trp
Thr Ile Trp Arg
Thr Leu Arg Trp
Thr Leu Trp Arg
Thr Arg Ile Trp
Thr Arg Leu Trp
Thr Arg Trp Ile
Thr Arg Trp Leu
Thr Trp Ile Arg
Thr Trp Leu Arg
Thr Trp Arg Ile
Thr Trp Arg Leu
Trp Glu Ile Lys
Trp Glu Lys Ile
Trp Glu Lys Leu
Trp Glu Leu Lys
Trp Ile Glu Lys
Trp Ile Lys Glu
Trp Ile Arg Thr
Trp Ile Thr Arg
Trp Lys Glu Ile
Trp Lys Glu Leu
Trp Lys Ile Glu
Trp Lys Lys Asn
Trp Lys Leu Glu
Trp Lys Asn Lys
Trp Leu Glu Lys
Trp Leu Lys Glu
Trp Leu Arg Thr
Trp Leu Thr Arg
Trp Asn Lys Lys
Trp Arg Ile Thr
Trp Arg Leu Thr
Trp Arg Thr Ile
Trp Arg Thr Leu
Trp Thr Ile Arg
Trp Thr Leu Arg
Trp Thr Arg Ile
Trp Thr Arg Leu
Tyr His Lys Lys
Tyr Lys His Lys
Tyr Lys Lys His
3-Benzoyloxy-6-oxo-12-ursen-28-oic acid
3-Benzoyloxy-11-oxo-12-ursen-28-oic acid
1,1-(decane-1,10-diyl)bis[4-amino-2-methylquinolinium] diacetate
C34H46N4O4 (574.3518875999999)
(2R)-2-[[(1R,3S,4S)-3-[[4-(5-Benzyl-2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D065100 - CCR5 Receptor Antagonists
solasodine 3-O-beta-D-glucopyranoside
Solasodine 3-o-beta-d-glucopyranoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Solasodine 3-o-beta-d-glucopyranoside can be found in a number of food items such as black crowberry, canada blueberry, fig, and cherry tomato, which makes solasodine 3-o-beta-d-glucopyranoside a potential biomarker for the consumption of these food products. Solasodine 3-o-β-d-glucopyranoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Solasodine 3-o-β-d-glucopyranoside can be found in a number of food items such as black crowberry, canada blueberry, fig, and cherry tomato, which makes solasodine 3-o-β-d-glucopyranoside a potential biomarker for the consumption of these food products.
(2R)-2-[[(1R,3S,4S)-3-[[4-(5-Benzyl-2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid
[(E,6R)-6-[(2S,9R,10R,13R,14S,16R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
[(2S,3R,4R,5S)-2-[(1S,2R,4R,5S,7S,11S,12S,15R,16S)-4,5-dihydroxy-2,16-dimethyl-8-oxo-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-15-yl]-5-ethyl-4-hydroxy-6-methylheptan-3-yl] hydrogen sulfate
[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] (10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoate
[(2R)-2-octanoyloxy-3-phosphonooxypropyl] (10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoate
[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] (9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoate
[(2R)-2-octanoyloxy-3-phosphonooxypropyl] (9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoate
(1R,4R,4aR,6Z,7aR,8aR,10S,11S,11aR,12aR,13aR)-1,13a-dihydroxy-11-isopropyl-4,7,8a-trimethyl-13-methylene-2-oxo-1,2,4,4a,5,7a,8,8a,9,10,11,11a,12,12a,13,13a-hexadecahydroindeno[5,6:4,5]cycloocta[1,2-c]pyran-10-yl 3-hydroxy-3,5-dimethylheptanoate
7,8-Dehydrocerberin
A cardenolide glycoside that is the 7,8-dehydroderivative of cerberin. Isolated from Cerbera manghas, it exhibits cytotoxic activity.
(6R)-6-[(3S,10S,13R,14R,15R,17R)-12-acetyloxy-3,15-dihydroxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide
C34H46N4O4 (574.3518875999999)
2,3-dihydroxypropyl [2-hydroxy-3-[(12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoxy]propyl] hydrogen phosphate
[1-octanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-tridec-9-enoate
[1-butanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-heptadec-9-enoate
[1-heptanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-tetradec-9-enoate
[1-propanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-octadec-9-enoate
[1-pentanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-hexadec-9-enoate
[1-acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-nonadec-9-enoate
[1-hexanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-pentadec-9-enoate
(1-hexanoyloxy-3-phosphonooxypropan-2-yl) (11Z,14Z)-henicosa-11,14-dienoate
(1-phosphonooxy-3-propanoyloxypropan-2-yl) (13Z,16Z)-tetracosa-13,16-dienoate
(1-octanoyloxy-3-phosphonooxypropan-2-yl) (9Z,12Z)-nonadeca-9,12-dienoate
(1-nonanoyloxy-3-phosphonooxypropan-2-yl) (9Z,12Z)-octadeca-9,12-dienoate
(1-heptanoyloxy-3-phosphonooxypropan-2-yl) (11Z,14Z)-icosa-11,14-dienoate
(1-pentanoyloxy-3-phosphonooxypropan-2-yl) (13Z,16Z)-docosa-13,16-dienoate
(1-phosphonooxy-3-undecanoyloxypropan-2-yl) (9Z,12Z)-hexadeca-9,12-dienoate
[1-phosphonooxy-3-[(Z)-tridec-9-enoyl]oxypropan-2-yl] (Z)-tetradec-9-enoate
(1-decanoyloxy-3-phosphonooxypropan-2-yl) (9Z,12Z)-heptadeca-9,12-dienoate
2-(3,4-Dimethoxyphenyl)ethyl 2,3,4-tri-O-methyl-alpha-(L)-rhamnopyranosyl(1.rar.3)-2,4,6-tri-O-methyl-beta-(D)-glucopyranoside
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] (9E,12E)-heptadeca-9,12-dienoate
(1-phosphonooxy-3-undecanoyloxypropan-2-yl) (4E,7E)-hexadeca-4,7-dienoate
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] (9E,12E)-heptadeca-9,12-dienoate
2-[[2-butanoyloxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C30H57NO7P+ (574.3872441999999)
2-[[2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-3-pentanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[3-[(10Z,13Z,16Z)-docosa-10,13,16-trienoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C30H57NO7P+ (574.3872441999999)
2-[[2-acetyloxy-3-[(11Z,14Z,17Z)-icosa-11,14,17-trienoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C30H57NO7P+ (574.3872441999999)
2-[[3-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoxy]-2-hexanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C30H57NO7P+ (574.3872441999999)
YW3548
A terpene lactone that is obtained from Codinea simplex and acts as an inhibitor of glycerophosphoinositol biosynthesis.
1-[3-(2-{5-hydroxy-1,6,6-trimethyl-4-oxo-3,7-dioxaspiro[bicyclo[3.2.1]octane-2,2'-oxan]-5'-yl}ethyl)-2,2-dimethyl-6-methylidenecyclohexyl]-2-(2-oxooxolan-3-ylidene)ethyl acetate
7-(acetyloxy)-1-(5,6-dihydroxy-7,7-dimethyloxepan-3-yl)-3b,6,6,9a,11a-pentamethyl-1h,2h,4h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
methyl (5ar,6r,7s,7as,7br,9as,13as,13bs,15as,15bs)-6-(acetyloxy)-7,13a-dihydroxy-5a-[(1r)-1-hydroxyethyl]-7b,9a,12,15a-tetramethyl-3-oxo-5h,6h,7h,7ah,8h,9h,10h,13h,14h,15h,15bh-chryseno[2,1-c]oxepine-13b-carboxylate
(1s)-1-[(1s,3r)-3-{2-[(1s,2s,5r,5's)-5-hydroxy-1,6,6-trimethyl-4-oxo-3,7-dioxaspiro[bicyclo[3.2.1]octane-2,2'-oxan]-5'-yl]ethyl}-2,2-dimethyl-6-methylidenecyclohexyl]-2-(2-oxooxolan-3-ylidene)ethyl acetate
[(1s,9s,10r,11r,17s)-12-{[(4r,12r,13s,16s,17r,18s,20r,21e)-16-methyl-15-oxa-1,11-diazahexacyclo[15.3.1.0⁴,¹².0⁴,²⁰.0⁵,¹⁰.0¹³,¹⁸]henicosa-5,7,9-trien-21-ylidene]methyl}-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,12-tetraen-10-yl]methanol
methyl (5ar,6r,7s,7as,7br,9as,13as,13bs,15as,15br)-6-(acetyloxy)-7,13a-dihydroxy-5a-[(1s)-1-hydroxyethyl]-7b,9a,12,15a-tetramethyl-3-oxo-5h,6h,7h,7ah,8h,9h,10h,13h,14h,15h,15bh-chryseno[2,1-c]oxepine-13b-carboxylate
10-(acetyloxy)-4,7,11-trihydroxy-9a,11a-dimethyl-1-{1-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]ethyl}-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-3-yl acetate
[10-(acetyloxy)-1,6,9-trihydroxy-3-isopropyl-5a,8,8,11a,13a-pentamethyl-1h,2h,3h,4h,5h,5bh,6h,7h,7ah,9h,10h,11h,13h,13bh-cyclopenta[a]chrysen-3a-yl]methyl acetate
(6r)-6-[(3r,3ar,7s)-3,7-dihydroxy-3a,6,6,9a,11,11a-hexamethyl-4,10-dioxo-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-(acetyloxy)-2-methyl-4-oxohexanoic acid
5-(4,6-dimethyl-7-oxonon-5-en-2-yl)-1,7,11-trihydroxy-6,8,16,18-tetramethyl-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-3-one
6-[(3as,4r,7r,9ar,11r,11as)-11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid
methyl (5ar,6r,7s,7as,7br,9as,13as,13bs,15as,15bs)-7-(acetyloxy)-6,13a-dihydroxy-5a-(1-hydroxyethyl)-7b,9a,12,15a-tetramethyl-3-oxo-5h,6h,7h,7ah,8h,9h,10h,13h,14h,15h,15bh-chryseno[2,1-c]oxepine-13b-carboxylate
14-(4-hydroxy-5,6-dimethyl-3-oxoheptan-2-yl)-2,15-dimethyl-9-oxo-18-oxapentacyclo[8.8.0.0¹,¹⁷.0²,⁷.0¹¹,¹⁵]octadec-7-en-5-yl 2,3-dihydroxy-3-methylbutanoate
(3r)-3-[(2r,3r,6s)-4-hydroxy-2,3-dimethyl-6-[(2r)-5-methyl-2-(2-methylprop-1-en-1-yl)hex-5-en-1-yl]-6-(3-methylbut-2-en-1-yl)-5,7-dioxo-2,3-dihydro-1-benzopyran-8-yl]-3-phenylpropanoic acid
2-[2,5-bis(acetyloxy)-4,7-dihydroxy-3a,3b,6,9a-tetramethyl-dodecahydro-2h-cyclopenta[a]phenanthren-1-ylidene]-6-methylhept-5-enoic acid
methyl (5ar,6r,7s,7as,7br,9as,13as,13bs,15as,15bs)-7-(acetyloxy)-6,13a-dihydroxy-5a-[(1r)-1-hydroxyethyl]-7b,9a,12,15a-tetramethyl-3-oxo-5h,6h,7h,7ah,8h,9h,10h,13h,14h,15h,15bh-chryseno[2,1-c]oxepine-13b-carboxylate
2-[2-(acetyloxy)-3-[7-(acetyloxy)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]butyl]-3-hydroxy-3-methylbutyl acetate
methyl (5ar,6r,7s,7as,7br,9ar,13as,13bs,15as,15bs)-7-(acetyloxy)-6,13a-dihydroxy-5a-[(1r)-1-hydroxyethyl]-7b,9a,15a-trimethyl-12-methylidene-3-oxo-5h,6h,7h,7ah,8h,9h,10h,11h,13h,14h,15h,15bh-chryseno[2,1-c]oxepine-13b-carboxylate
2'-o-acetyl cerleaside a
{"Ingredient_id": "HBIN006174","Ingredient_name": "2'-o-acetyl cerleaside a","Alias": "NA","Ingredient_formula": "C32H46O9","Ingredient_Smile": "CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC45C3CCC(C4=O)(C(CC5)C6=CC(=O)OC6)C)C)OC(=O)C)OC)O","Ingredient_weight": "574.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "349","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101338813","DrugBank_id": "NA"}
3β-o-(2'-o-acetyl-α-l-thevetosyl)-14β-hy-droxy-7-en-5β-card-20(22)-enolide
{"Ingredient_id": "HBIN008278","Ingredient_name": "3\u03b2-o-(2'-o-acetyl-\u03b1-l-thevetosyl)-14\u03b2-hy-droxy-7-en-5\u03b2-card-20(22)-enolide","Alias": "NA","Ingredient_formula": "C32H46O9","Ingredient_Smile": "CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4=CCC3C2)O)C6=CC(=O)OC6)C)C)OC(=O)C)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "526","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}