Exact Mass: 800.3771576

Exact Mass Matches: 800.3771576

Found 76 metabolites which its exact mass value is equals to given mass value 800.3771576, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Fumonisin FP1

1-{14,15-bis[(3,4-dicarboxybutanoyl)oxy]-3,5,10-trihydroxy-12,16-dimethylicosan-2-yl}-3-hydroxypyridin-1-ium

C39H62NO16+ (800.4068391999999)


D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D037341 - Fumonisins Fumonisin FP1 is produced by Fusarium moniliform

   

PGP(a-13:0/18:1(12Z)-O(9S,10R))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(10-methyldodecanoyl)oxy]-2-[(8-{3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}octanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C37H70O14P2 (800.4240580000001)


PGP(a-13:0/18:1(12Z)-O(9S,10R)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(a-13:0/18:1(12Z)-O(9S,10R)), in particular, consists of one chain of one 10-methyldodecanoyl at the C-1 position and one chain of 9,10-epoxy-octadecenoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(18:1(12Z)-O(9S,10R)/a-13:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(10-methyldodecanoyl)oxy]-3-[(8-{3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}octanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C37H70O14P2 (800.4240580000001)


PGP(18:1(12Z)-O(9S,10R)/a-13:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(18:1(12Z)-O(9S,10R)/a-13:0), in particular, consists of one chain of one 9,10-epoxy-octadecenoyl at the C-1 position and one chain of 10-methyldodecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(a-13:0/18:1(9Z)-O(12,13))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(10-methyldodecanoyl)oxy]-2-{[(9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C37H70O14P2 (800.4240580000001)


PGP(a-13:0/18:1(9Z)-O(12,13)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(a-13:0/18:1(9Z)-O(12,13)), in particular, consists of one chain of one 10-methyldodecanoyl at the C-1 position and one chain of 12,13-epoxy-octadecenoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(18:1(9Z)-O(12,13)/a-13:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(10-methyldodecanoyl)oxy]-3-{[(9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C37H70O14P2 (800.4240580000001)


PGP(18:1(9Z)-O(12,13)/a-13:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(18:1(9Z)-O(12,13)/a-13:0), in particular, consists of one chain of one 12,13-epoxy-octadecenoyl at the C-1 position and one chain of 10-methyldodecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(i-13:0/18:1(12Z)-O(9S,10R))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(11-methyldodecanoyl)oxy]-2-[(8-{3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}octanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C37H70O14P2 (800.4240580000001)


PGP(i-13:0/18:1(12Z)-O(9S,10R)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(i-13:0/18:1(12Z)-O(9S,10R)), in particular, consists of one chain of one 11-methyldodecanoyl at the C-1 position and one chain of 9,10-epoxy-octadecenoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(18:1(12Z)-O(9S,10R)/i-13:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(11-methyldodecanoyl)oxy]-3-[(8-{3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}octanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C37H70O14P2 (800.4240580000001)


PGP(18:1(12Z)-O(9S,10R)/i-13:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(18:1(12Z)-O(9S,10R)/i-13:0), in particular, consists of one chain of one 9,10-epoxy-octadecenoyl at the C-1 position and one chain of 11-methyldodecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(i-13:0/18:1(9Z)-O(12,13))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(11-methyldodecanoyl)oxy]-2-{[(9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C37H70O14P2 (800.4240580000001)


PGP(i-13:0/18:1(9Z)-O(12,13)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(i-13:0/18:1(9Z)-O(12,13)), in particular, consists of one chain of one 11-methyldodecanoyl at the C-1 position and one chain of 12,13-epoxy-octadecenoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(18:1(9Z)-O(12,13)/i-13:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(11-methyldodecanoyl)oxy]-3-{[(9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C37H70O14P2 (800.4240580000001)


PGP(18:1(9Z)-O(12,13)/i-13:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(18:1(9Z)-O(12,13)/i-13:0), in particular, consists of one chain of one 12,13-epoxy-octadecenoyl at the C-1 position and one chain of 11-methyldodecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   
   
   
   

Rediocide F

Rediocide F

C45H52O13 (800.3407742)


A diterpenoid of the class of daphnane-type terpenes. It is isolated from Trigonostemon reidioides and has been shown to exhibit insecticidal activity.

   

Spongipregnoloside D

3-O-(Rhaa1-4(Rhaa1-2)Glcb)-3beta-hydroxy-16beta-methoxy-pregn-5-en-20-one

C40H64O16 (800.4194143999999)


   
   

14alpha-benzoyloxy-15beta-hydroxyl-7beta-isobutanoyloxy-5alpha-propionyloxy-2alpha,3beta,8alpha,9alpha-tetraacetoxyjatropha-6(17),11E-diene

14alpha-benzoyloxy-15beta-hydroxyl-7beta-isobutanoyloxy-5alpha-propionyloxy-2alpha,3beta,8alpha,9alpha-tetraacetoxyjatropha-6(17),11E-diene

C42H56O15 (800.3619026)


   

5alpha-spirost-25(27)-ene-1beta,3beta-diol-1-O-alpha-L-rhamnopyranosyl-(1?2)-(4-O-sulfo)-beta-D-fucopyranoside|fruticoside I

5alpha-spirost-25(27)-ene-1beta,3beta-diol-1-O-alpha-L-rhamnopyranosyl-(1?2)-(4-O-sulfo)-beta-D-fucopyranoside|fruticoside I

C39H60O15S (800.365273)


   

14alpha-benzoyloxy-15beta-hydroxy-5alpha-isobutanoyloxy-7beta-propionyloxy-2alpha,3beta,8alpha,9alpha-tetraacetoxyjatropha-6(17),11E-diene

14alpha-benzoyloxy-15beta-hydroxy-5alpha-isobutanoyloxy-7beta-propionyloxy-2alpha,3beta,8alpha,9alpha-tetraacetoxyjatropha-6(17),11E-diene

C42H56O15 (800.3619026)


   

yungensin G

yungensin G

C46H56O12 (800.3771576)


A natural product found in Elaphoglossum yungense.

   
   
   

C41H52N8O9_Cyclo[glycylprolyltryptophylglycyl-beta-hydroxy-3-(3-methyl-2-buten-1-yl)tyrosylglycylvalyl]

NCGC00380613-01_C41H52N8O9_Cyclo[glycylprolyltryptophylglycyl-beta-hydroxy-3-(3-methyl-2-buten-1-yl)tyrosylglycylvalyl]

C41H52N8O9 (800.3857062000001)


   

Fumonisin FP1

1-{14,15-bis[(3,4-dicarboxybutanoyl)oxy]-3,5,10-trihydroxy-12,16-dimethylicosan-2-yl}-3-hydroxypyridin-1-ium

C39H62NO16+ (800.4068391999999)


D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D037341 - Fumonisins

   

Dichloro(3-methyl-2-butenylidene)bis(tricyclohexylphosphine)ruthenium(II)

Dichloro(3-methyl-2-butenylidene)bis(tricyclohexylphosphine)ruthenium(II)

C41H74Cl2P2Ru (800.3685924000001)


   
   

ZINC 2,9,16,23-TETRA-TERT-BUTYL-29 H,31 H-PHTHALOCYANINE

ZINC 2,9,16,23-TETRA-TERT-BUTYL-29 H,31 H-PHTHALOCYANINE

C48H48N8Zn (800.3293177999999)


   

4-Benzyl-1-(beta,4-dihydroxy-alpha-methylphenethyl)piperidinium hydrogen tartrate

4-Benzyl-1-(beta,4-dihydroxy-alpha-methylphenethyl)piperidinium hydrogen tartrate

C46H60N2O10 (800.4247740000001)


D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

   

(2S)-2-acetamido-3-[(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]propanoic acid

(2S)-2-acetamido-3-[(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]propanoic acid

C44H52N2O12 (800.3520072000001)


   
   
   
   
   
   
   
   
   

9-(dimethylamino)-11,11-dimethyl-1-{4-oxo-4-[(5-{[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}pentyl)amino]butyl}-2,3,4,11-tetrahydronaphtho[2,3-g]quinolinium perchlorate

9-(dimethylamino)-11,11-dimethyl-1-{4-oxo-4-[(5-{[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}pentyl)amino]butyl}-2,3,4,11-tetrahydronaphtho[2,3-g]quinolinium perchlorate

C40H57ClN6O7S (800.3697761999999)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

2,5,11-trihydroxy-7-(1-hydroxyethyl)-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione

2,5,11-trihydroxy-7-(1-hydroxyethyl)-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione

C42H52N6O10 (800.3744732000001)


   

16α-methoxyl-3β-[(o-α-l-rhamnopyranosyl-(1→2)-o-[α-l-rhamnopyranosyl-(1→4)]-β-d-glucopyranosyl)oxy]pregn-5-en-20-one

NA

C40H64O16 (800.4194143999999)


{"Ingredient_id": "HBIN001810","Ingredient_name": "16\u03b1-methoxyl-3\u03b2-[(o-\u03b1-l-rhamnopyranosyl-(1\u21922)-o-[\u03b1-l-rhamnopyranosyl-(1\u21924)]-\u03b2-d-glucopyranosyl)oxy]pregn-5-en-20-one","Alias": "NA","Ingredient_formula": "C40H64O16","Ingredient_Smile": "CC1C(C(C(C(O1)OC2C(OC(C(C2O)OC3C(C(C(C(O3)C)O)O)O)OC4CCC5(C6CCC7(C(C6CC=C5C4)CC(C7C(=O)C)OC)C)C)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13983","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

1-[(1s,2s,3ar,3br,7r,9ar,9bs,11ar)-7-{[(2s,3s,4r,5r,6s)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}-2-methoxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone

1-[(1s,2s,3ar,3br,7r,9ar,9bs,11ar)-7-{[(2s,3s,4r,5r,6s)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}-2-methoxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone

C40H64O16 (800.4194143999999)


   

3-[(1s,4r,7s,10s,13s,16s)-2,5,11,24-tetrahydroxy-10-[(4-hydroxyphenyl)methyl]-4,9,13,15,29-pentamethyl-8,14,30-trioxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaen-7-yl]propanoic acid

3-[(1s,4r,7s,10s,13s,16s)-2,5,11,24-tetrahydroxy-10-[(4-hydroxyphenyl)methyl]-4,9,13,15,29-pentamethyl-8,14,30-trioxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaen-7-yl]propanoic acid

C41H48N6O11 (800.3380898)


   

1-(7-{[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-methoxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl)ethanone

1-(7-{[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-methoxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl)ethanone

C40H64O16 (800.4194143999999)


   

(4r)-2-acetyl-6-({3-butanoyl-5-[(8-butanoyl-5,7-dihydroxy-2,2-dimethylchromen-6-yl)methyl]-2,4,6-trihydroxyphenyl}methyl)-4-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxy-4-methylcyclohexa-2,5-dien-1-one

(4r)-2-acetyl-6-({3-butanoyl-5-[(8-butanoyl-5,7-dihydroxy-2,2-dimethylchromen-6-yl)methyl]-2,4,6-trihydroxyphenyl}methyl)-4-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxy-4-methylcyclohexa-2,5-dien-1-one

C46H56O12 (800.3771576)


   

6,7,24,25-tetrahydroxy-5-(hydroxymethyl)-24,31,33-trimethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.1¹⁹,²².0¹,⁸.0²,²⁶.0³,⁵.0⁷,¹¹.0²⁵,³⁰]tritriaconta-14,16-dien-18-yl benzoate

6,7,24,25-tetrahydroxy-5-(hydroxymethyl)-24,31,33-trimethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.1¹⁹,²².0¹,⁸.0²,²⁶.0³,⁵.0⁷,¹¹.0²⁵,³⁰]tritriaconta-14,16-dien-18-yl benzoate

C45H52O13 (800.3407742)


   

(1s,4r,7r,10s,13s,16s)-2,5,11-trihydroxy-7-[(1s)-1-hydroxyethyl]-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione

(1s,4r,7r,10s,13s,16s)-2,5,11-trihydroxy-7-[(1s)-1-hydroxyethyl]-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione

C42H52N6O10 (800.3744732000001)


   

(6s,12s,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-{hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one

(6s,12s,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-{hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one

C41H52N8O9 (800.3857062000001)


   

(6s,9s,12s,15s,21s,26as)-15-benzyl-1,4,7,10,13,16,19-heptahydroxy-9,21-diisopropyl-6-(2-methylpropyl)-12-[2-(methylsulfanyl)ethyl]-3h,6h,9h,12h,15h,18h,21h,24h,25h,26h,26ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-22-one

(6s,9s,12s,15s,21s,26as)-15-benzyl-1,4,7,10,13,16,19-heptahydroxy-9,21-diisopropyl-6-(2-methylpropyl)-12-[2-(methylsulfanyl)ethyl]-3h,6h,9h,12h,15h,18h,21h,24h,25h,26h,26ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-22-one

C39H60N8O8S (800.42546)


   

3-{2,5,11,24-tetrahydroxy-10-[(4-hydroxyphenyl)methyl]-4,9,13,15,29-pentamethyl-8,14,30-trioxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaen-7-yl}propanoic acid

3-{2,5,11,24-tetrahydroxy-10-[(4-hydroxyphenyl)methyl]-4,9,13,15,29-pentamethyl-8,14,30-trioxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaen-7-yl}propanoic acid

C41H48N6O11 (800.3380898)


   

(1r,2s,3s,5r,6s,7r,8r,11s,14e,16z,18r,19s,22r,24r,25s,26r,28s,30s,31r,33s)-6,7,24,25-tetrahydroxy-5-(hydroxymethyl)-24,31,33-trimethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.1¹⁹,²².0¹,⁸.0²,²⁶.0³,⁵.0⁷,¹¹.0²⁵,³⁰]tritriaconta-14,16-dien-18-yl benzoate

(1r,2s,3s,5r,6s,7r,8r,11s,14e,16z,18r,19s,22r,24r,25s,26r,28s,30s,31r,33s)-6,7,24,25-tetrahydroxy-5-(hydroxymethyl)-24,31,33-trimethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.1¹⁹,²².0¹,⁸.0²,²⁶.0³,⁵.0⁷,¹¹.0²⁵,³⁰]tritriaconta-14,16-dien-18-yl benzoate

C45H52O13 (800.3407742)


   

(2s)-2-{[2-({[(2s)-1-[(2s)-2-[(2-amino-1-hydroxyethylidene)amino]-3-(1h-indol-3-yl)propanoyl]-2,3-dihydropyrrol-2-yl](hydroxy)methylidene}amino)-1-hydroxyethylidene]amino}-n-({[(1r,2s)-1-hydroxy-1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-oxopropan-2-yl]-c-hydroxycarbonimidoyl}methyl)-3-methylbutanimidic acid

(2s)-2-{[2-({[(2s)-1-[(2s)-2-[(2-amino-1-hydroxyethylidene)amino]-3-(1h-indol-3-yl)propanoyl]-2,3-dihydropyrrol-2-yl](hydroxy)methylidene}amino)-1-hydroxyethylidene]amino}-n-({[(1r,2s)-1-hydroxy-1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-oxopropan-2-yl]-c-hydroxycarbonimidoyl}methyl)-3-methylbutanimidic acid

C41H52N8O9 (800.3857062000001)


   

(6s,12r,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-[(r)-hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl]-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one

(6s,12r,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-[(r)-hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl]-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one

C41H52N8O9 (800.3857062000001)


   

15-benzyl-1,4,7,10,13,16,19-heptahydroxy-9,21-diisopropyl-6-(2-methylpropyl)-12-[2-(methylsulfanyl)ethyl]-3h,6h,9h,12h,15h,18h,21h,24h,25h,26h,26ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-22-one

15-benzyl-1,4,7,10,13,16,19-heptahydroxy-9,21-diisopropyl-6-(2-methylpropyl)-12-[2-(methylsulfanyl)ethyl]-3h,6h,9h,12h,15h,18h,21h,24h,25h,26h,26ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-22-one

C39H60N8O8S (800.42546)


   

1-[(1r,2r,3as,3bs,7s,9ar,9bs,11as)-7-{[(2r,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}-2-methoxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone

1-[(1r,2r,3as,3bs,7s,9ar,9bs,11as)-7-{[(2r,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}-2-methoxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone

C40H64O16 (800.4194143999999)


   

2-acetyl-6-({3-butanoyl-5-[(8-butanoyl-5,7-dihydroxy-2,2-dimethylchromen-6-yl)methyl]-2,4,6-trihydroxyphenyl}methyl)-4-(3,7-dimethylocta-2,6-dien-1-yl)-3,5-dihydroxy-4-methylcyclohexa-2,5-dien-1-one

2-acetyl-6-({3-butanoyl-5-[(8-butanoyl-5,7-dihydroxy-2,2-dimethylchromen-6-yl)methyl]-2,4,6-trihydroxyphenyl}methyl)-4-(3,7-dimethylocta-2,6-dien-1-yl)-3,5-dihydroxy-4-methylcyclohexa-2,5-dien-1-one

C46H56O12 (800.3771576)


   

(6s,12s,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-[(r)-hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl]-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one

(6s,12s,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-[(r)-hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl]-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one

C41H52N8O9 (800.3857062000001)


   

1-[(1r,2s,3as,3bs,7s,9ar,9bs,11ar)-7-{[(2r,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}-2-methoxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone

1-[(1r,2s,3as,3bs,7s,9ar,9bs,11ar)-7-{[(2r,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}-2-methoxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone

C40H64O16 (800.4194143999999)


   

(14e)-6,7,24,25-tetrahydroxy-5-(hydroxymethyl)-24,31,33-trimethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.1¹⁹,²².0¹,⁸.0²,²⁶.0³,⁵.0⁷,¹¹.0²⁵,³⁰]tritriaconta-14,16-dien-18-yl benzoate

(14e)-6,7,24,25-tetrahydroxy-5-(hydroxymethyl)-24,31,33-trimethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.1¹⁹,²².0¹,⁸.0²,²⁶.0³,⁵.0⁷,¹¹.0²⁵,³⁰]tritriaconta-14,16-dien-18-yl benzoate

C45H52O13 (800.3407742)


   

1,4,7,10,13,16-hexahydroxy-12-{hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one

1,4,7,10,13,16-hexahydroxy-12-{hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one

C41H52N8O9 (800.3857062000001)