Exact Mass: 719.3869

Exact Mass Matches: 719.3869

Found 88 metabolites which its exact mass value is equals to given mass value 719.3869, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

19-(4-hydroxyphenyl)nonadecanoyl-AMP

19-(4-Hydroxyphenyl)nonadecanoyl adenylate

C35H54N5O9P (719.3659)


   

Carfilzomib

2-[(1-Hydroxy-2-{[1-hydroxy-2-(morpholin-4-yl)ethylidene]amino}-4-phenylbutylidene)amino]-4-methyl-N-(1-{[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]-C-hydroxycarbonimidoyl}-2-phenylethyl)pentanimidate

C40H57N5O7 (719.4258)


   

PA(8:0/LTE4)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-{[(2R)-1-(octanoyloxy)-3-(phosphonooxy)propan-2-yl]oxy}-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C34H58NO11PS (719.3468)


PA(8:0/LTE4) 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/LTE4), in particular, consists of one chain of one octanoyl at the C-1 position and one chain of Leukotriene E4 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(LTE4/8:0)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-[(2R)-2-(octanoyloxy)-3-(phosphonooxy)propoxy]-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C34H58NO11PS (719.3468)


PA(LTE4/8:0) 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(LTE4/8:0), in particular, consists of one chain of one Leukotriene E4 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).

   
   
   

Bafilomycin C1 amide

Bafilomycin C1 amide

C39H61NO11 (719.4244)


   
   

Carfilzomib

Carfilzomib

C40H57N5O7 (719.4258)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XG - Proteasome inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2160 - Proteasome Inhibitor C471 - Enzyme Inhibitor

   

(16alpha,20R,24R)-24N,25-carbamoyloxy-2,16,20-trihydroxycucurbita-1,5-diene-3,11,22-trione 2-O-beta-D-glucopyranoside

(16alpha,20R,24R)-24N,25-carbamoyloxy-2,16,20-trihydroxycucurbita-1,5-diene-3,11,22-trione 2-O-beta-D-glucopyranoside

C37H53NO13 (719.3517)


A triterpenoid saponin of the class of cucurbitane glycosides isolated from the roots of Machilus yaoshansis. It has been shown to exhibit inhibitory activity against protein tyrosine phosphatase.

   

All-trans-octaprenyl diphosphate(2-)

All-trans-octaprenyl diphosphate(2-)

C40H65O7P2-3 (719.4205)


   

[[(1S,2R,3S)-2-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraenyl]-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclopropyl]methoxy-oxidophosphoryl] phosphate

[[(1S,2R,3S)-2-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraenyl]-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclopropyl]methoxy-oxidophosphoryl] phosphate

C40H65O7P2-3 (719.4205)


   
   

(2Z,6Z,10Z,14Z,18Z,22Z,26E)-octaprenyl diphosphate

(2Z,6Z,10Z,14Z,18Z,22Z,26E)-octaprenyl diphosphate

C40H65O7P2-3 (719.4205)


   

4-[4-[3-[(3,4-Dihydroxybenzoyl)amino]propylazaniumyl]butylamino]-2-[2-[4-[3-[(3,4-dihydroxybenzoyl)amino]propylazaniumyl]butylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoate

4-[4-[3-[(3,4-Dihydroxybenzoyl)amino]propylazaniumyl]butylamino]-2-[2-[4-[3-[(3,4-dihydroxybenzoyl)amino]propylazaniumyl]butylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoate

C34H51N6O11+ (719.3616)


   
   
   

Kitastatin 1

Kitastatin 1

C36H53N3O12 (719.3629)


An 18-membered cyclodepsipeptide having a 3-amino-2-hydroxybenzoyl group attached to the amino terminus. It is isolated from an Alaskan Kitasatospora sp. and exhibits antineoplastic activity.

   

(1R,2R,3R)-prephytoene diphosphate

(1R,2R,3R)-prephytoene diphosphate

C40H65O7P2-3 (719.4205)


   
   

desferriexochelin 772MS

desferriexochelin 772MS

C34H49N5O12 (719.3378)


   

N-(2-aminophenyl)-N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

N-(2-aminophenyl)-N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

C43H53N5O5 (719.4046)


   

3-cyclohexyl-1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea

C37H52F3N5O6 (719.3869)


   

N-(2-aminophenyl)-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

N-(2-aminophenyl)-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

C43H53N5O5 (719.4046)


   

N-(2-aminophenyl)-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

N-(2-aminophenyl)-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

C43H53N5O5 (719.4046)


   

N-(2-aminophenyl)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

N-(2-aminophenyl)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

C43H53N5O5 (719.4046)


   

3-cyclohexyl-1-[[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea

C37H52F3N5O6 (719.3869)


   

N-(2-aminophenyl)-N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

N-(2-aminophenyl)-N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

C43H53N5O5 (719.4046)


   

N-(2-aminophenyl)-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

N-(2-aminophenyl)-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

C43H53N5O5 (719.4046)


   

1-[[(3S,9R,10S)-16-[[(cyclohexylamino)-oxomethyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

1-[[(3S,9R,10S)-16-[[(cyclohexylamino)-oxomethyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C37H52F3N5O6 (719.3869)


   

N-(2-aminophenyl)-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

N-(2-aminophenyl)-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

C43H53N5O5 (719.4046)


   

3-cyclohexyl-1-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea

C37H52F3N5O6 (719.3869)


   

N-(2-aminophenyl)-N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

N-(2-aminophenyl)-N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

C43H53N5O5 (719.4046)


   

3-cyclohexyl-1-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea

C37H52F3N5O6 (719.3869)


   

3-cyclohexyl-1-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea

3-cyclohexyl-1-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea

C37H52F3N5O6 (719.3869)


   
   

SHexCer 17:3;2O/12:1;O

SHexCer 17:3;2O/12:1;O

C35H61NO12S (719.3914)


   

SHexCer 14:3;2O/15:1;O

SHexCer 14:3;2O/15:1;O

C35H61NO12S (719.3914)


   

SHexCer 15:3;2O/14:1;O

SHexCer 15:3;2O/14:1;O

C35H61NO12S (719.3914)


   

SHexCer 16:3;2O/13:1;O

SHexCer 16:3;2O/13:1;O

C35H61NO12S (719.3914)


   

PI-Cer 15:3;2O/14:1;O

PI-Cer 15:3;2O/14:1;O

C35H62NO12P (719.4009)


   

PI-Cer 14:3;2O/15:1;O

PI-Cer 14:3;2O/15:1;O

C35H62NO12P (719.4009)


   

PI-Cer 17:3;2O/12:1;O

PI-Cer 17:3;2O/12:1;O

C35H62NO12P (719.4009)


   

PI-Cer 16:3;2O/13:1;O

PI-Cer 16:3;2O/13:1;O

C35H62NO12P (719.4009)


   
   
   

2-amino-3-[2,3-bis[[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy]propoxy-hydroxyphosphoryl]oxypropanoic acid

2-amino-3-[2,3-bis[[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy]propoxy-hydroxyphosphoryl]oxypropanoic acid

C38H58NO10P (719.3798)


   

(2S)-2-amino-3-[[3-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

(2S)-2-amino-3-[[3-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C38H58NO10P (719.3798)


   

(2S)-2-amino-3-[[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

(2S)-2-amino-3-[[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C38H58NO10P (719.3798)


   

(2S)-2-amino-3-[2,3-bis[[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy]propoxy-hydroxyphosphoryl]oxypropanoic acid

(2S)-2-amino-3-[2,3-bis[[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy]propoxy-hydroxyphosphoryl]oxypropanoic acid

C38H58NO10P (719.3798)


   

All-trans-octaprenyl diphosphate(2-)

All-trans-octaprenyl diphosphate(2-)

C40H65O7P2 (719.4205)


Trianion of all-trans-octaprenyl diphosphate arising from deprotonation of all three diphosphate OH groups; major species at pH 7.3

   
   
   
   
   
   
   
   
   
   

PS P-18:0/11:3;O3

PS P-18:0/11:3;O3

C35H62NO12P (719.4009)


   
   
   
   
   
   
   
   
   
   
   
   

ST 29:6;O8;HexNAc

ST 29:6;O8;HexNAc

C37H53NO13 (719.3517)


   

Z-Tyr-Lys-Arg-pNA

Z-Tyr-Lys-Arg-pNA

C35H45N9O8 (719.3391)


Z-Tyr-Lys-Arg-pNA is a chromogenic substrate. Z-Tyr-Lys-Arg-pNA can be used to detect the activity of subtilisin-type and yapsin-like proteases[1].

   

(3R,6R,9R,12S,15R,21S)-3,9-bis(benzyl)-15-isobutyl-6-methyl-12-methylol-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone

(3R,6R,9R,12S,15R,21S)-12-(hydroxymethyl)-6-methyl-15-(2-methylpropyl)-3,9-bis(phenylmethyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone; (3R,6R,9R,12S,15R,21S)-12-(hydroxymethyl)-15-isobutyl-6-methyl-3,9-bis(phenylmethyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone

C37H49N7O8 (719.3642)


{"Ingredient_id": "HBIN009561","Ingredient_name": "(3R,6R,9R,12S,15R,21S)-3,9-bis(benzyl)-15-isobutyl-6-methyl-12-methylol-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone","Alias": "(3R,6R,9R,12S,15R,21S)-12-(hydroxymethyl)-6-methyl-15-(2-methylpropyl)-3,9-bis(phenylmethyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone; (3R,6R,9R,12S,15R,21S)-12-(hydroxymethyl)-15-isobutyl-6-methyl-3,9-bis(phenylmethyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone","Ingredient_formula": "C37H49N7O8","Ingredient_Smile": "NA","Ingredient_weight": "719.83","OB_score": "2.988732182","CAS_id": "164991-91-7","SymMap_id": "SMIT10118","TCMID_id": "NA","TCMSP_id": "MOL008909","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2e)-4-{[(2r,4r,5s,6s)-2-hydroxy-2-[(2s,3r,4s)-3-hydroxy-4-[(2r,3s,4e,6e,9s,10s,11r,12e,14z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl]oxy}-4-oxobut-2-enimidic acid

(2e)-4-{[(2r,4r,5s,6s)-2-hydroxy-2-[(2s,3r,4s)-3-hydroxy-4-[(2r,3s,4e,6e,9s,10s,11r,12e,14z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl]oxy}-4-oxobut-2-enimidic acid

C39H61NO11 (719.4244)


   

(1r,2r,3as,3bs,9ar,9br,11ar)-2-hydroxy-1-[(2r)-2-hydroxy-4-[(4r)-2-hydroxy-5,5-dimethyl-4h-1,3-oxazol-4-yl]-3-oxobutan-2-yl]-3a,6,6,9b,11a-pentamethyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,9ah,11h-cyclopenta[a]phenanthrene-7,10-dione

(1r,2r,3as,3bs,9ar,9br,11ar)-2-hydroxy-1-[(2r)-2-hydroxy-4-[(4r)-2-hydroxy-5,5-dimethyl-4h-1,3-oxazol-4-yl]-3-oxobutan-2-yl]-3a,6,6,9b,11a-pentamethyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,9ah,11h-cyclopenta[a]phenanthrene-7,10-dione

C37H53NO13 (719.3517)


   

(2e)-4-{[(2r,4r,5s,6r)-2-hydroxy-2-[(2s,3r,4s)-3-hydroxy-4-[(2r,3s,4z,6z,9s,10s,11r,12z,14e)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl]oxy}-4-oxobut-2-enimidic acid

(2e)-4-{[(2r,4r,5s,6r)-2-hydroxy-2-[(2s,3r,4s)-3-hydroxy-4-[(2r,3s,4z,6z,9s,10s,11r,12z,14e)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl]oxy}-4-oxobut-2-enimidic acid

C39H61NO11 (719.4244)


   

12,18-dibenzyl-1,4,7,10,13,16-hexahydroxy-9-(hydroxymethyl)-15-methyl-6-(2-methylpropyl)-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one

12,18-dibenzyl-1,4,7,10,13,16-hexahydroxy-9-(hydroxymethyl)-15-methyl-6-(2-methylpropyl)-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one

C37H49N7O8 (719.3642)


   

3-amino-n-[(2r,5r,8s,13s,16r,17s)-5-[(2r)-butan-2-yl]-6-hydroxy-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,9,11,14,18-pentaoxo-1,4,12,15-tetraoxa-7-azacyclooctadec-6-en-17-yl]-2-hydroxybenzenecarboximidic acid

3-amino-n-[(2r,5r,8s,13s,16r,17s)-5-[(2r)-butan-2-yl]-6-hydroxy-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,9,11,14,18-pentaoxo-1,4,12,15-tetraoxa-7-azacyclooctadec-6-en-17-yl]-2-hydroxybenzenecarboximidic acid

C36H53N3O12 (719.3629)


   

3-amino-2-hydroxy-n-[6-hydroxy-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,9,11,14,18-pentaoxo-5-(sec-butyl)-1,4,12,15-tetraoxa-7-azacyclooctadec-6-en-17-yl]benzenecarboximidic acid

3-amino-2-hydroxy-n-[6-hydroxy-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,9,11,14,18-pentaoxo-5-(sec-butyl)-1,4,12,15-tetraoxa-7-azacyclooctadec-6-en-17-yl]benzenecarboximidic acid

C36H53N3O12 (719.3629)


   

(1s,2s,6s,9s,10s,11r,12r,13s,14s,15s,16r,18s,19s,22s,23s,25r)-16-(acetyloxy)-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-{[(2r)-2-methylbutanoyl]oxy}-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl (2r)-2-methylbutanoate

(1s,2s,6s,9s,10s,11r,12r,13s,14s,15s,16r,18s,19s,22s,23s,25r)-16-(acetyloxy)-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-{[(2r)-2-methylbutanoyl]oxy}-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl (2r)-2-methylbutanoate

C39H61NO11 (719.4244)


   

4-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl}oxy)-4-oxobut-2-enimidic acid

4-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl}oxy)-4-oxobut-2-enimidic acid

C39H61NO11 (719.4244)


   

3-amino-2-hydroxy-n-[(2s,5s,8s,13s,16r,17s)-6-hydroxy-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,9,11,14,18-pentaoxo-5-(sec-butyl)-1,4,12,15-tetraoxa-7-azacyclooctadec-6-en-17-yl]benzenecarboximidic acid

3-amino-2-hydroxy-n-[(2s,5s,8s,13s,16r,17s)-6-hydroxy-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,9,11,14,18-pentaoxo-5-(sec-butyl)-1,4,12,15-tetraoxa-7-azacyclooctadec-6-en-17-yl]benzenecarboximidic acid

C36H53N3O12 (719.3629)


   

(2e)-4-{[(2r,4r,5s,6s)-2-hydroxy-2-[(2s,3r,4s)-3-hydroxy-4-[(2r,3s,4e,6e,9s,10s,11r,12e,14e)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl]oxy}-4-oxobut-2-enimidic acid

(2e)-4-{[(2r,4r,5s,6s)-2-hydroxy-2-[(2s,3r,4s)-3-hydroxy-4-[(2r,3s,4e,6e,9s,10s,11r,12e,14e)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl]oxy}-4-oxobut-2-enimidic acid

C39H61NO11 (719.4244)


   

(6s,9s,12s,15s,18s,23as)-12,18-dibenzyl-1,4,7,10,13,16-hexahydroxy-9-(hydroxymethyl)-15-methyl-6-(2-methylpropyl)-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,9s,12s,15s,18s,23as)-12,18-dibenzyl-1,4,7,10,13,16-hexahydroxy-9-(hydroxymethyl)-15-methyl-6-(2-methylpropyl)-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one

C37H49N7O8 (719.3642)


   

(2s)-2-[(1-hydroxy-2-{[(1s,2r)-2-hydroxy-1-{[(1s,2s)-2-hydroxy-1-{[(1s)-3-methyl-1-{[2-(2-methylpropyl)-3-oxooxolan-2-yl]-c-hydroxycarbonimidoyl}butyl]-c-hydroxycarbonimidoyl}propyl]-c-hydroxycarbonimidoyl}propyl]-c-hydroxycarbonimidoyl}-2-methylethylidene)amino]-3-phenylpropanoic acid

(2s)-2-[(1-hydroxy-2-{[(1s,2r)-2-hydroxy-1-{[(1s,2s)-2-hydroxy-1-{[(1s)-3-methyl-1-{[2-(2-methylpropyl)-3-oxooxolan-2-yl]-c-hydroxycarbonimidoyl}butyl]-c-hydroxycarbonimidoyl}propyl]-c-hydroxycarbonimidoyl}propyl]-c-hydroxycarbonimidoyl}-2-methylethylidene)amino]-3-phenylpropanoic acid

C35H53N5O11 (719.3741)


   

16-(acetyloxy)-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2-methylbutanoyl)oxy]-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 2-methylbutanoate

16-(acetyloxy)-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2-methylbutanoyl)oxy]-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 2-methylbutanoate

C39H61NO11 (719.4244)