Exact Mass: 678.3700570000001

Exact Mass Matches: 678.3700570000001

Found 59 metabolites which its exact mass value is equals to given mass value 678.3700570000001, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Medicagenic acid 3-O-b-D-glucuronide

3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acid

C36H54O12 (678.3615084)


Medicagenic acid 3-O-b-D-glucuronide is found in cereals and cereal products. Medicagenic acid 3-O-b-D-glucuronide is a constituent of the roots of Medicago sativa (alfalfa) Constituent of the roots of Medicago sativa (alfalfa). Medicagenic acid 3-O-b-D-glucuronide is found in cereals and cereal products.

   

1-Acetyl-3,14,20-trihydroxywitha-5,24-dienolide 3-glucoside

14-[1-(4,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-11-hydroxy-2,15-dimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-3-yl acetic acid

C36H54O12 (678.3615084)


1-Acetyl-3,14,20-trihydroxywitha-5,24-dienolide 3-glucoside is found in fruits. 1-Acetyl-3,14,20-trihydroxywitha-5,24-dienolide 3-glucoside is a constituent of Physalis peruviana (Cape gooseberry).

   

PA(10:0/6 keto-PGF1alpha)

[(2R)-3-(decanoyloxy)-2-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]-6-oxoheptanoyl}oxy)propoxy]phosphonic acid

C33H59O12P (678.3743944)


PA(10:0/6 keto-PGF1alpha) 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(10:0/6 keto-PGF1alpha), in particular, consists of one chain of one decanoyl at the C-1 position and one chain of 6-Keto-prostaglandin F1alpha 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(6 keto-PGF1alpha/10:0)

[(2R)-2-(decanoyloxy)-3-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]-6-oxoheptanoyl}oxy)propoxy]phosphonic acid

C33H59O12P (678.3743944)


PA(6 keto-PGF1alpha/10:0) 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(6 keto-PGF1alpha/10:0), in particular, consists of one chain of one 6-Keto-prostaglandin F1alpha at the C-1 position and one chain of decanoyl 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(10:0/TXB2)

[(2R)-3-(decanoyloxy)-2-{[(5Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]oxan-3-yl]hept-5-enoyl]oxy}propoxy]phosphonic acid

C33H59O12P (678.3743944)


PA(10:0/TXB2) 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(10:0/TXB2), in particular, consists of one chain of one decanoyl at the C-1 position and one chain of Thromboxane B2 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(TXB2/10:0)

[(2R)-2-(decanoyloxy)-3-{[(5Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]oxan-3-yl]hept-5-enoyl]oxy}propoxy]phosphonic acid

C33H59O12P (678.3743944)


PA(TXB2/10:0) 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(TXB2/10:0), in particular, consists of one chain of one Thromboxane B2 at the C-1 position and one chain of decanoyl 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).

   

Bryoamaride

(4R,8xi,9beta,16alpha,17xi)-16,20,25-trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5-dien-2-yl hexopyranoside

C36H54O12 (678.3615084)


Origin: Plant; SubCategory_DNP: Triterpenoids

   
   

Arvenin III

Cucurbitacin D 2-O-beta-D-glucoside

C36H54O12 (678.3615084)


   
   
   
   

24-O-(3-O-Methyl-4-O-Sulfo-beta-D-xylofuranoside)-Cholestane-3,6,8,15,24-pentol

24-O-(3-O-Methyl-4-O-Sulfo-beta-D-xylofuranoside)-Cholestane-3,6,8,15,24-pentol

C33H58O12S (678.3648788)


   

3beta-(O4-glucopyranosyl-O3-methyl-beta-D-xylo-2,6-dideoxy-hexopyranosyloxy)-14-hydroxy-5beta-14beta-carda-16,20(22)-dienolide|3beta-(O4-Glucopyranosyl-O3-methyl-beta-D-xylo-2,6-didesoxy-hexopyranosyloxy)-14-hydroxy-5beta-14beta-carda-16,20(22)-dienolid

3beta-(O4-glucopyranosyl-O3-methyl-beta-D-xylo-2,6-dideoxy-hexopyranosyloxy)-14-hydroxy-5beta-14beta-carda-16,20(22)-dienolide|3beta-(O4-Glucopyranosyl-O3-methyl-beta-D-xylo-2,6-didesoxy-hexopyranosyloxy)-14-hydroxy-5beta-14beta-carda-16,20(22)-dienolid

C36H54O12 (678.3615084)


   
   

3beta-(O4-beta-D-Digitoxopyranosyl-beta-D-digitoxopyranosyloxy)-16beta-formyloxy-14-hydroxy-5beta,14beta-card-20(22)-enolid|3beta-(O4-beta-D-digitoxopyranosyl-beta-D-digitoxopyranosyloxy)-16beta-formyloxy-14-hydroxy-5beta,14beta-card-20(22)-enolide

3beta-(O4-beta-D-Digitoxopyranosyl-beta-D-digitoxopyranosyloxy)-16beta-formyloxy-14-hydroxy-5beta,14beta-card-20(22)-enolid|3beta-(O4-beta-D-digitoxopyranosyl-beta-D-digitoxopyranosyloxy)-16beta-formyloxy-14-hydroxy-5beta,14beta-card-20(22)-enolide

C36H54O12 (678.3615084)


   
   
   

premyrsinol-3-propanoate-5-(alpha-methyl)butyrate-7,13-diacetate-17-isobutyrate

premyrsinol-3-propanoate-5-(alpha-methyl)butyrate-7,13-diacetate-17-isobutyrate

C36H54O12 (678.3615084)


   
   

(+)-miyakolide|Miyakolide

(+)-miyakolide|Miyakolide

C36H54O12 (678.3615084)


   
   

C36H54O12_Estr-5-ene-3,11-dione, 17-[(1R,3E)-1,5-dihydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2-(beta-D-glucopyranosyloxy)-16-hydroxy-4,4,9,14-tetramethyl-, (2beta,9beta,10alpha,16alpha,17beta)

NCGC00385061-01_C36H54O12_Estr-5-ene-3,11-dione, 17-[(1R,3E)-1,5-dihydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2-(beta-D-glucopyranosyloxy)-16-hydroxy-4,4,9,14-tetramethyl-, (2beta,9beta,10alpha,16alpha,17beta)-

C36H54O12 (678.3615084)


   

C36H54O12_2,7-Octadienoic acid, 6-[[3,4-bis-O-[(2E)-6-hydroxy-2,6-dimethyl-1-oxo-2,7-octadien-1-yl]-beta-D-glucopyranosyl]oxy]-2,6-dimethyl-, (2E)

NCGC00381025-01_C36H54O12_2,7-Octadienoic acid, 6-[[3,4-bis-O-[(2E)-6-hydroxy-2,6-dimethyl-1-oxo-2,7-octadien-1-yl]-beta-D-glucopyranosyl]oxy]-2,6-dimethyl-, (2E)-

C36H54O12 (678.3615084)


   

Medicagenic acid base + O-HexA

Medicagenic acid base + O-HexA

C36H54O12 (678.3615084)


Annotation level-3

   

LRDLY

Leu Arg Asp Leu Tyr

C31H50N8O9 (678.3700570000001)


   

1-Acetyl-3,14,20-trihydroxywitha-5,24-dienolide 3-glucoside

14-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-11-hydroxy-2,15-dimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-3-yl acetate

C36H54O12 (678.3615084)


   

Medicagenic acid 3-O-b-D-glucuronide

3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acid

C36H54O12 (678.3615084)


   

PA(10:0/6 keto-PGF1alpha)

PA(10:0/6 keto-PGF1alpha)

C33H59O12P (678.3743944)


   

PA(6 keto-PGF1alpha/10:0)

PA(6 keto-PGF1alpha/10:0)

C33H59O12P (678.3743944)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

PI P-20:1/4:1 or PI O-20:2/4:1

PI P-20:1/4:1 or PI O-20:2/4:1

C33H59O12P (678.3743944)


   
   

PI P-24:2 or PI O-24:3

PI P-24:2 or PI O-24:3

C33H59O12P (678.3743944)