Exact Mass: 644.3196458
Exact Mass Matches: 644.3196458
Found 244 metabolites which its exact mass value is equals to given mass value 644.3196458,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Goshonoside F3
Goshonoside F3 is found in fruits. Goshonoside F3 is a constituent of Rubus foliolosus (Ceylon raspberry). Constituent of Rubus foliolosus (Ceylon raspberry). Goshonoside F3 is found in fruits.
Capsianoside IV
Constituent of Capsicum annuum. Capsianoside IV is found in many foods, some of which are herbs and spices, pepper (c. annuum), green bell pepper, and orange bell pepper. Capsianoside IV is found in herbs and spices. Capsianoside IV is a constituent of Capsicum annuum
Benzoyl-fvr-pna
C33H40N8O6 (644.3070660000001)
PA(10:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
PA(10:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) 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(10:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)), in particular, consists of one chain of one decanoyl at the C-1 position and one chain of Leukotriene B4 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(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/10:0)
PA(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/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(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/10:0), in particular, consists of one chain of one Leukotriene B4 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(10:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))
PA(10:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) 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(10:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)), in particular, consists of one chain of one decanoyl at the C-1 position and one chain of 5(S),15(S)-Dihydroxyeicosatetraenoyl 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(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/10:0)
PA(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/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(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/10:0), in particular, consists of one chain of one 5(S),15(S)-Dihydroxyeicosatetraenoyl 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(10:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))
PA(10:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) 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(10:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)), in particular, consists of one chain of one decanoyl at the C-1 position and one chain of 5,6-Dihydroxyeicosatetraenoyl 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(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/10:0)
PA(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/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(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/10:0), in particular, consists of one chain of one 5,6-Dihydroxyeicosatetraenoyl 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).
Euphoscopin C
euphoscopin C is a natural product found in Euphorbia helioscopia with data available.
atractyligenin 2-O-beta-D-glucopyranosyl-(1 -> 2)-beta-D-glucopyranoside
17-O-beta-D-glucopyranosyl-16-beta-H-ent-kauran-19-oic acid-19-O-beta-D-glucopyranoside
(-)-(1S,5S,10S,11R,13R)-1,11,13-trihydroxyabieta-8-ene-7-one 1-O-(2-O-coumaroyl)-beta-D-glucopyranoside|inflexuside B
(2Z)-2-methyl-4-[3a,4,5,7,10,11,12,13-octahydro-(5R*,16aS*)-8,17-dihydroxy-3,3,13-trimethyl-15-(3-methylbut-2-en-1-yl)-7,18-dioxo-10-(prop-1-en-2-yl)-3H,9H-1,5:9,13-dimethanofuro[3,4-g]oxocino[3,2-b]xanthen-1-yl]lbut-2-enoic acid|gambogellic acid A
Taccalonolide E
Taccalonolide E is a natural product found in Tacca plantaginea and Tacca chantrieri with data available.
2-[[2-(1,3-dicarboxypropyl)-6,6,9a-trimethyl-5-[(2E,4E,6E)-octa-2,4,6-trienoyl]oxy-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e]isoindol-4-yl]amino]pentanedioic acid
Phe His Arg Trp
Phe His Trp Arg
Phe Arg His Trp
Phe Arg Trp His
Phe Trp His Arg
Phe Trp Arg His
His Phe Arg Trp
His Phe Trp Arg
His Arg Phe Trp
His Arg Trp Phe
His Trp Phe Arg
His Trp Arg Phe
Gln Arg Arg Trp
C28H44N12O6 (644.3506603999999)
Gln Arg Trp Arg
C28H44N12O6 (644.3506603999999)
Gln Trp Arg Arg
C28H44N12O6 (644.3506603999999)
Arg Phe His Trp
Arg Phe Trp His
Arg His Phe Trp
Arg His Trp Phe
Arg Gln Arg Trp
C28H44N12O6 (644.3506603999999)
Arg Gln Trp Arg
C28H44N12O6 (644.3506603999999)
Arg Arg Gln Trp
C28H44N12O6 (644.3506603999999)
Arg Arg Trp Gln
C28H44N12O6 (644.3506603999999)
Arg Trp Phe His
Arg Trp His Phe
Arg Trp Gln Arg
C28H44N12O6 (644.3506603999999)
Arg Trp Arg Gln
C28H44N12O6 (644.3506603999999)
Trp Phe His Arg
Trp Phe Arg His
Trp His Phe Arg
Trp His Arg Phe
Trp Gln Arg Arg
C28H44N12O6 (644.3506603999999)
Trp Arg Phe His
Trp Arg His Phe
Trp Arg Gln Arg
C28H44N12O6 (644.3506603999999)
Trp Arg Arg Gln
C28H44N12O6 (644.3506603999999)
Capsianside IV
Goshonoside F3
3,5-BIS(TERT-BUTYLDIPHENYLSILYLOXY)BENZOIC ACID METHYL ESTER
C40H44O4Si2 (644.2777983999999)
2-((1E,3E)-3-(3-butyl-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)prop-1-enyl)-1,1,3-trimethyl-1H-benzo[e]indolium
(S)-7,7-Bis[di(p-methylphenyl)phosphino]-1,1-spirobiindane
12-Ethyl-71-hydroxy-8-isobutylbacteriochlorophyllide c
1-[1-carboxy-3-[[3-carboxy-5-[3-[[(E)-dec-2-enoyl]-hydroxyamino]propylamino]-3-hydroxy-5-oxopentanoyl]amino]propyl]-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid
[2-[(2E,7E)-9-(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-4,6-dioxonona-2,7-dienyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] acetate
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide
N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-thiophenesulfonamide
N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-thiophenesulfonamide
cyclo(L-alpha-glutamyl-L-threonyl-L-threonyl-D-leucyl-L-leucyl-L-seryl)
C28H48N6O11 (644.3380897999999)
methyl (1R,2S,10R,15R,17S,18S,20S,21R,23S,24S,28S,40S)-18,23-diethyl-16,22-dioxa-3,13,25,35-tetrazatridecacyclo[21.15.1.110,13.01,25.02,28.03,21.04,9.010,21.015,17.020,24.028,36.029,34.018,40]tetraconta-4,6,8,29,31,33,36-heptaene-37-carboxylate
S-[2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate
[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-nonanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
[1-[(2-heptanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-undecanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-nonanoyloxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-undecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
2-[[2-(1,3-dicarboxypropyl)-6,6,9a-trimethyl-5-[(2E,4E,6E)-octa-2,4,6-trienoyl]oxy-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e]isoindol-4-yl]amino]pentanedioic acid
[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(E)-undec-4-enoyl]oxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate
[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-undecanoyloxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phospho-(1-myo-inositol)
n-[(2r)-1-[(1r,12r,13s,14r,15s)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-3-methylbutanimidic acid
20,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1s,4s,5r,9s,10r,13r,14r)-5,9-dimethyl-14-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
(2s,3s,3ar,6r,12r,13s,13ar)-13,13a-bis(acetyloxy)-3-(benzoyloxy)-2,5,9,9,12-pentamethyl-8-oxo-1h,2h,3h,3ah,6h,7h,12h,13h-cyclopenta[12]annulen-6-yl benzoate
(2z)-4-[(1s,2s,8s,17s,19r)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-(hydroxymethyl)but-2-enoic acid
(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15r,16r,19s,21r)-4,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
(2s,3r)-2-{[(2-amino-3-hydroxy-4-methylphenyl)(hydroxy)methylidene]amino}-3-hydroxy-n-[(2r)-3-methyl-1-[(5s)-2-methyl-5-[methyl({methyl[(2s)-3-methyl-1-oxobutan-2-yl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-1-oxobut-3-en-2-yl]butanimidic acid
C32H48N6O8 (644.3533448000001)
(2r)-n-[(2r)-1-[(1r,12r,13s,14r,15s)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-2-methylbutanimidic acid
n-[(2r)-1-[(1r,12r,13s,14r,15r)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-14-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-13-carbonyl]pyrrolidin-2-yl]-3-methylbutanimidic acid
n-{1-[(12r,13s,14r)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-14-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-13-carbonyl]pyrrolidin-2-yl}-3-methylbutanimidic acid
(1s,2r,3r,5s,7s,9s,10r,11r,12s,14s,15r,16s,17s,22s,23s,24s,25r)-14,25-bis(acetyloxy)-3,22-dihydroxy-11,15,17,22,23-pentamethyl-4,21-dioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacos-18-en-10-yl acetate
(2z)-4-[(1s,2s,8r,17s,19r)-12-hydroxy-8-[(2e)-4-hydroxy-4-methylpent-2-en-1-yl]-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid
12- o -acetylazedarachin b
{"Ingredient_id": "HBIN000914","Ingredient_name": "12- o -acetylazedarachin b","Alias": "NA","Ingredient_formula": "C34H44O12","Ingredient_Smile": "CC(C)C(=O)OC1C2(C3CC(C4(C(C3(CO1)C(CC2OC(=O)C)O)C(=O)C(C5(C46C(O6)CC5C7=COC=C7)C)OC(=O)C)C)O)C","Ingredient_weight": "644.71","OB_score": "NA","CAS_id": "163634-39-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9376","PubChem_id": "101930513","DrugBank_id": "NA"}
17,19-kauranediol; (ent-16β)-form,19-carboxylic acid,17-o-beta-d-glucopyranoside,beta-d-glucopyranosyl ester
{"Ingredient_id": "HBIN001968","Ingredient_name": "17,19-kauranediol; (ent-16\u03b2)-form,19-carboxylic acid,17-o-beta-d-glucopyranoside,beta-d-glucopyranosyl ester","Alias": "NA","Ingredient_formula": "C32H52O13","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9264","PubChem_id": "NA","DrugBank_id": "NA"}
n-[(2r)-1-[(1r,12r,13r,14s,15s)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-14-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-13-carbonyl]pyrrolidin-2-yl]-3-methylbutanimidic acid
n-{4-[2,3-dihydroxy-12,14-dimethoxy-8-(4-methoxyphenyl)-5-oxo-7-phenyl-9-oxa-4-azatetracyclo[8.4.0.0²,⁶.0³,⁸]tetradeca-1(14),10,12-trien-4-yl]butyl}-4-hydroxy-2-methylbut-2-enimidic acid
n-{1-[1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl}-3-methylbutanimidic acid
(2r,3s,4r,5s,6r)-2-{[(1s,2r,3r,4ar,4bs,7s,10ar)-7-ethenyl-2,3-dihydroxy-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthren-1-yl]methoxy}-6-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
3-[3,10-bis(acetyloxy)-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-12-en-15-yl]-5-(3,3-dimethyloxiran-2-yl)oxolan-2-yl acetate
4-[12-hydroxy-8-(4-hydroxy-4-methylpent-2-en-1-yl)-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid
n-[(2r)-1-[(1r,12r,13s,14r,15r)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-3-methylbutanimidic acid
19,20-bis(acetyloxy)-6-(furan-3-yl)-11,18-dihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.0¹,¹³.0²,¹⁰.0⁵,⁹]icosan-15-yl 2-methylpropanoate
(e,2z,4z)-n-[(1e)-3-[(1s,11s,13r,15r)-15-{[(2r,3s,4r,5s,6r)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-7-hydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.0³,⁸]heptadeca-3,5,7-trien-11-yl]prop-1-en-1-yl]hepta-2,4-dienimidic acid
2-[(7-ethenyl-2,3-dihydroxy-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthren-1-yl)methoxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
8-(3,4-dihydroxybenzoyl)-6-(3,7-dimethylocta-2,6-dien-1-yl)-7-hydroxy-4-(3-hydroxy-4-oxopyran-2-yl)-2,2-dimethyl-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-1-benzopyran-5-one
n-{1-[1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl}-2-methylbutanimidic acid
(2r,3s,3as,6r,12r,13r,13ar)-13,13a-bis(acetyloxy)-3-(benzoyloxy)-2,5,9,9,12-pentamethyl-8-oxo-1h,2h,3h,3ah,6h,7h,12h,13h-cyclopenta[12]annulen-6-yl benzoate
8-hydroxy-2,8,10,13,18,18-hexamethyl-6-(2-methylprop-1-en-1-yl)-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosa-15,19-diene-12,17-dione
(e,2z,4z)-n-[(1e)-3-[(1s,11s,13r,15s)-15-{[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-7-hydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.0³,⁸]heptadeca-3,5,7-trien-11-yl]prop-1-en-1-yl]hepta-2,4-dienimidic acid
n-[(2r)-1-[(1r,12r,13s,14r,15s)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-14-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-13-carbonyl]pyrrolidin-2-yl]-3-methylbutanimidic acid
(2z)-4-[(1s,2s,8s,11r,12s,19s,21r,25s)-14,25-dihydroxy-8,23,23-trimethyl-5-(3-methylbut-2-en-1-yl)-16,20-dioxo-11-(prop-1-en-2-yl)-3,7,22-trioxaheptacyclo[17.4.1.1⁸,¹².0²,¹⁷.0²,²¹.0⁴,¹⁵.0⁶,¹³]pentacosa-4(15),5,13,17-tetraen-21-yl]-2-methylbut-2-enoic acid
(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15r,16s,19s,21r)-4,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
4,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
(1r,2s,4s,6r,8r,9s,10s,13s,14s)-8-hydroxy-2,8,10,13,18,18-hexamethyl-6-(2-methylprop-1-en-1-yl)-16-{[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosa-15,19-diene-12,17-dione
(1s,2s,4r,6s,8s,9r,10r,13r,14r)-8-hydroxy-2,8,10,13,18,18-hexamethyl-6-(2-methylprop-1-en-1-yl)-16-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosa-15,19-diene-12,17-dione
n-{3-[15-({4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl}oxy)-7-hydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.0³,⁸]heptadeca-3,5,7-trien-11-yl]prop-1-en-1-yl}hepta-2,4-dienimidic acid
(1r,3r,4r,6r)-6-[(r)-[(1r,5r,8ar)-1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1h-isochromen-5-yl](acetyloxy)methyl]-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-5-oxocyclohexyl (2r)-2-methylbutanoate
n-{1-[1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-14-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-13-carbonyl]pyrrolidin-2-yl}-3-methylbutanimidic acid
12-[(hexanoyloxy)methyl]-4,9-dimethyl-15-(propan-2-ylidene)-11-(pyridine-3-carbonyloxy)-5-oxatricyclo[10.3.0.0⁴,⁶]pentadec-9-en-2-yl pyridine-3-carboxylate
n-[(2s)-1-[(1r,12r,13s,14r,15s)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-2-methylbutanimidic acid
(1s,2s,4r,6r,8s,9r,10r,13r,14r)-8-hydroxy-2,8,10,13,18,18-hexamethyl-6-(2-methylprop-1-en-1-yl)-16-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosa-15,19-diene-12,17-dione
n-{1-[(1r,12r,13r,14s,15s)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-14-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-13-carbonyl]pyrrolidin-2-yl}-3-methylbutanimidic acid
n-{1-[(1r,12r,13s,14r,15s)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-14-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-13-carbonyl]pyrrolidin-2-yl}-3-methylbutanimidic acid
(1s,2r,4s,6r,9e,11s,12s)-12-[(hexanoyloxy)methyl]-4,9-dimethyl-15-(propan-2-ylidene)-11-(pyridine-3-carbonyloxy)-5-oxatricyclo[10.3.0.0⁴,⁶]pentadec-9-en-2-yl pyridine-3-carboxylate
(2s,3r,4s,5s,6r)-2-{[(1s,2r,3r,4ar,4bs,7s,10ar)-7-ethenyl-2,3-dihydroxy-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthren-1-yl]methoxy}-6-({[(2r,3s,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
4-[14,25-dihydroxy-8,23,23-trimethyl-5-(3-methylbut-2-en-1-yl)-16,20-dioxo-11-(prop-1-en-2-yl)-3,7,22-trioxaheptacyclo[17.4.1.1⁸,¹².0²,¹⁷.0²,²¹.0⁴,¹⁵.0⁶,¹³]pentacosa-4(15),5,13,17-tetraen-21-yl]-2-methylbut-2-enoic acid
n-{1-[(12r,13r,14s)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-14-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-13-carbonyl]pyrrolidin-2-yl}-3-methylbutanimidic acid
n-[(3s,6r,7s,10r,13r,18as)-10-benzyl-1,8,11-trihydroxy-3-(1h-indol-3-ylmethyl)-6,13-dimethyl-4,14-dioxo-3h,6h,7h,10h,13h,16h,17h,18h,18ah-pyrrolo[2,1-f]1-oxa-4,7,10,13-tetraazacyclohexadecan-7-yl]ethanimidic acid
C34H40N6O7 (644.2958330000001)
(1s,2r,4s,7s,8s,10s,11r,12s,13s,15r,17s,19r)-13,15,19-tris(acetyloxy)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-10-yl acetate
(2z)-4-[(1s,2s,8r,17s,19r)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-(hydroxymethyl)but-2-enoic acid
13,15,19-tris(acetyloxy)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-10-yl acetate
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1s,2s,4ar,5r,8ar)-1,4a-dimethyl-5-[(3e)-3-methyl-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-octahydronaphthalene-2-carboxylate
6-[(acetyloxy)[1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1h-isochromen-5-yl]methyl]-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-5-oxocyclohexyl 2-methylbutanoate
(1r,3r,4r)-6-[(r)-[(1r,5r,8ar)-1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1h-isochromen-5-yl](acetyloxy)methyl]-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-5-oxocyclohexyl 2-methylbutanoate
(2e)-n-{4-[(2s,3s,6r,7s,8s)-2,3-dihydroxy-12,14-dimethoxy-8-(4-methoxyphenyl)-5-oxo-7-phenyl-9-oxa-4-azatetracyclo[8.4.0.0²,⁶.0³,⁸]tetradeca-1(14),10,12-trien-4-yl]butyl}-4-hydroxy-2-methylbut-2-enimidic acid
(e,2z,4z)-n-[(1e)-3-[(1s,11s,13r,15r)-15-{[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-7-hydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.0³,⁸]heptadeca-3,5,7-trien-11-yl]prop-1-en-1-yl]hepta-2,4-dienimidic acid
4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-(hydroxymethyl)but-2-enoic acid
n-[10-benzyl-1,8,11-trihydroxy-3-(1h-indol-3-ylmethyl)-6,13-dimethyl-4,14-dioxo-3h,6h,7h,10h,13h,16h,17h,18h,18ah-pyrrolo[2,1-f]1-oxa-4,7,10,13-tetraazacyclohexadecan-7-yl]ethanimidic acid
C34H40N6O7 (644.2958330000001)
(1s,2s,5s,6r,9r,10s,11r,13r,14r,15s,18r,19r,20s)-19,20-bis(acetyloxy)-6-(furan-3-yl)-11,18-dihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.0¹,¹³.0²,¹⁰.0⁵,⁹]icosan-15-yl 2-methylpropanoate
n-{1-[(1r,12r,13s,14r,15s)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl}-3-methylbutanimidic acid
(1s,2r,5s,6s,8r,10r,11s,12r,14r,15r,16r,19r,20r,21s)-20,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
n-{1-[(12r,13s,14r)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl}-3-methylbutanimidic acid
(2s)-n-[(1r)-4-carbamimidamido-1-({3-[(2s,5s)-3,6-dihydroxy-5-[3-(n-hydroxyformamido)propyl]-2,5-dihydropyrazin-2-yl]propyl}(hydroxy)carbamoyl)butyl]-2-[(1-hydroxyethylidene)amino]-5-(n-hydroxyformamido)pentanimidic acid
C25H44N10O10 (644.3241724000001)