Exact Mass: 770.4088502
Exact Mass Matches: 770.4088502
Found 161 metabolites which its exact mass value is equals to given mass value 770.4088502,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Torvoside E
Torvoside E is found in fruits. Torvoside E is a constituent of Solanum torvum (pea eggplant). Constituent of Solanum torvum (pea eggplant). Torvoside E is found in fruits.
PGP(i-12:0/18:2(9Z,11Z))
C36H68O13P2 (770.4134938000001)
PGP(i-12:0/18:2(9Z,11Z)) is a phosphatidylglycerophosphate (PGP). It is a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site followed by another phosphate moiety. Phosphatidylglycerolphosphate is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant (up to 11\\% of the total). It is well established that the concentration of phosphatidylglycerolphosphate increases during fetal development. Phosphatidylglycerolphosphate may be present in animal tissues merely as a precursor for cardiolipin synthesis. As is the case with diacylglycerols, phosphatidylglycerophosphates can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PGP(i-12:0/18:2(9Z,11Z)), in particular, consists of one chain of isododecanoic acid at the C-1 position and one chain of (9Z,11Z)-octadecadienoic acid at the C-2 position. They are synthesized by the addition of glycerol 3-phosphate to a CDP-diacylglycerol. In turn, PGPs are dephosphorylated to phosphatidylglycerols (PGs). While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes.
PG(i-12:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))
PG(i-12:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(i-12:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)), in particular, consists of one chain of one 10-methylundecanoyl at the C-1 position and one chain of Resolvin D5 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).
PG(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/i-12:0)
PG(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/i-12:0) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/i-12:0), in particular, consists of one chain of one Resolvin D5 at the C-1 position and one chain of 10-methylundecanoyl 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).
PG(i-12:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))
PG(i-12:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(i-12:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)), in particular, consists of one chain of one 10-methylundecanoyl at the C-1 position and one chain of Protectin DX 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).
PG(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/i-12:0)
PG(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/i-12:0) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/i-12:0), in particular, consists of one chain of one Protectin DX at the C-1 position and one chain of 10-methylundecanoyl 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).
(25S)-1beta-[(beta-D-fucopyranosyl)oxy]-3beta-hydroxy-22alpha-methoxyfurost-5-en-26-yl beta-D-glucopyranoside
3-O-[alpha-L-arabinopyranosyl-(1->2)-beta-D-xylopyranosyl]-3beta,6alpha,16beta,23a,25-pentahydroxy-20(R),24(S)-epoxycycloartane
(3beta,5alpha,11alpha,12beta,14beta)-3-{[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-beta-D-allopyranosyl)-3-O-methyl-beta-D-arabino-hexopyranosyl]oxy}-8,12,14-trihydroxy-20-oxopregnan-11-yl 2-methylbutanoate|tenacigenoside D
(25R)-3?,17alpha,27-triol-spirostan-6-one-3-O-alpha-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside|pumilum A
(23S,25R)-14alpha,17alpha,23-trihydroxyspirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
(24S,25S)-3beta,17alpha,24-trihydroxy-5alpha-spirostan-6-one 3-O-[alpha-L-rhamnopyranosyl-(1?2)]-beta-D-glucopyranoside
12-hydroxyophiogenin 3-O-alpha-L-rhamnopyranosyl(1?2)-beta-D-glucopyranoside|ophiopogonin R
(25S)-26-(beta-D-glucopyranosyloxy)-3-oxo-22alpha-methoxy-5alpha-furostan-6alpha-yl-O-beta-D-xylopyranoside
(23S,25S)-17alpha,23,27-trihydroxyspirost-5-en-3beta-yl-O-alpha-L-rhamnopyranosyl-(1?4)-beta-D-glucopyranoside|dioscoreanoside J
(24S,25S)-17alpha,24,25-trihydroxyspirost-5-en-3beta-yl-O-alpha-L-rhamnopyranosyl-(1?4)-beta-D-glucopyranoside|dioscoreanoside F
cyclo(-Leu-Ser-Phe-Leu-Pro-Val-Asn-)|cyclo-(L-asparaginyl->-L-leucyl->-L-seryl->-L-phenylalanyl->-L-leucyl->-L-prolyl->-L-valyl)|Evolidin|evolidine
(24S,25R)-1beta-[(beta-D-glucopyranosyl)oxy]-6beta-hydroxy-3alpha,5alpha-cyclospirostan-24-yl beta-D-glucopyranoside
(23S,25R)-12alpha,17alpha,23-trihydroxyspirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
1beta,3beta-dihydroxypregna-5,16-dien-20-one 1-O-[O-alpha-L-rhamnopyranosyl-(1->2)-O-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranoside
26-O-beta-D-glucopyranosyl-22xi-methoxy-2alpha,3beta-dihydroxy-furost-5,25(27)-diene-1beta-yl O-beta-D-xylopyranoside|atropuroside G
3beta-dihydroxy pregn-5,16-dien-20-one 3-O-beta-chacotrioside
C39H62O15_(3beta,5alpha,15alpha,22xi,23S,25R)-15,23-Dihydroxy-26-oxospirostan-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Torvoside E
Mantuoluoside C
(23S,25R)-12alpha,17alpha,23-trihydroxyspirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranoside
(23S,25R)-14alpha,17alpha,23-trihydroxyspirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranoside
Spongipregnoloside C
4-[[6-[(1-Oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoic acid 1,1-(1,4-phenylene) ester
3beta,15alpha,23alpha-Trihydroxy-5alpha-spirostan-26-one 3-O-alpha-rhamnopyranosyl-(1-2)-beta-glucopyranoside
(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranoside
3-O-(Glcb1-4Galb)-(25R)-12-oxo-5alpha-spirostan-3beta-ol
N-[2-[(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-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]ethyl]acetamide
C44H54N2O10 (770.3778264000001)
PG(i-12:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))
PG(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/i-12:0)
PG(i-12:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))
PG(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/i-12:0)
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(Z)-tridec-9-enoxy]propan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] (Z)-tridec-9-enoate
[1-butanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
[1-acetyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
[1-hexanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[3,4,5-trihydroxy-6-[2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxy-3-tridecanoyloxypropoxy]oxan-2-yl]methanesulfonic acid
C40H66O12S (770.4274756000001)
[3,4,5-trihydroxy-6-[2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-[(Z)-tridec-9-enoyl]oxypropoxy]oxan-2-yl]methanesulfonic acid
C40H66O12S (770.4274756000001)
[6-[2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-[(Z)-pentadec-9-enoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
C40H66O12S (770.4274756000001)
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-octanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
[(2S,3S,6S)-6-[2-[(4E,7E)-hexadeca-4,7-dienoyl]oxy-3-[(6E,9E,12E)-pentadeca-6,9,12-trienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
C40H66O12S (770.4274756000001)
[1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(5E,8E,11E)-tetradeca-5,8,11-trienoyl]oxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate
[(2S,3S,6S)-6-[2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-3-[(9E,12E)-pentadeca-9,12-dienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
C40H66O12S (770.4274756000001)
[(2S,3S,6S)-3,4,5-trihydroxy-6-[(2S)-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxy-2-undecanoyloxypropoxy]oxan-2-yl]methanesulfonic acid
C40H66O12S (770.4274756000001)
[(2S,3S,6S)-3,4,5-trihydroxy-6-[(2S)-2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-undecanoyloxypropoxy]oxan-2-yl]methanesulfonic acid
C40H66O12S (770.4274756000001)
[1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(7E,9E)-tetradeca-7,9-dienoyl]oxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
[(2S,3S,6S)-6-[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-pentadecanoyloxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
C40H66O12S (770.4274756000001)
[(2S,3S,6S)-6-[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[(E)-pentadec-9-enoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
C40H66O12S (770.4274756000001)
[1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(E)-tetradec-9-enoyl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
Ac-{Gly(N-me)}-Sar-Sar-Sar-Sar-Sar-Sar-Sar-Sar-Sar
Ac-{Gly(N-me)}-Sar-Sar-Sar-Sar-Sar-Sar-Sar-Sar-Sar is a decapeptide. Ac-{Gly(N-me)}-Sar-Sar-Sar-Sar-Sar-Sar-Sar-Sar-Sar can be used to preparation of antibody-drug conjugate[1].
LRGILS-NH2 (TFA)
C31H57F3N10O9 (770.4261868000001)
LRGILS-NH2 TFA is a reverse-sequence protease-activated receptor-2 (PAR-2)-inactive, negative control, and SLIGRL-NH2 is a PAR-2-activating peptide[1].
(2s)-2-[(8-{[(1r,2s,4r,5r,6r,7r,10s,11r,14s,16s)-5-(acetyloxy)-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-14-yl]oxy}-1-hydroxy-8-oxooctylidene)amino]-5-carbamimidamidopentanoic acid
(1's,2r,2'r,4'r,5r,7's,8's,9's,12'r,13's,15's,16'r,18'r)-16'-{[(2r,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-15'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-10'-one
n-[(2s,5s,8s,11r,12s,15s,18s,21r)-5-benzyl-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-2,15-bis(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]butanimidic acid
(1s,4r,7s,10s,13s,16s)-7-ethyl-2,5,11,24-tetrahydroxy-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
6-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-14-hydroxy-7,7,12,16-tetramethyl-15-(4,5,6-trihydroxy-6-methylheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-9-one
5,7',9',13'-tetramethyl-16',19'-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-10'-one
(2s,3r,4s,5s,6r)-2-{[(2r,3r,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'r,2s,2's,3s,3'r,4'r,5r,7's,8'r,9's,12's,13'r,16's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,3'-dioloxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,4r,7s,10s,13s,16s)-2,5,11-trihydroxy-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-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
(24s,25r)-1β-[(β-d-glucopyranosyl)oxy]-6β-hydroxy-3α,5α-cyclospirostan-24-yl β-d-glu-copyranoside
{"Ingredient_id": "HBIN004521","Ingredient_name": "(24s,25r)-1\u03b2-[(\u03b2-d-glucopyranosyl)oxy]-6\u03b2-hydroxy-3\u03b1,5\u03b1-cyclospirostan-24-yl \u03b2-d-glu-copyranoside","Alias": "NA","Ingredient_formula": "C39H62O15","Ingredient_Smile": "CC1COC2(CC1OC3C(C(C(C(O3)CO)O)O)O)C(C4C(O2)CC5C4(CCC6C5CC(C78C6(C(CC7C8)OC9C(C(C(C(O9)CO)O)O)O)C)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8689","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
agave americana compound 3
{"Ingredient_id": "HBIN014834","Ingredient_name": "agave americana compound 3","Alias": "NA","Ingredient_formula": "C39H62O15","Ingredient_Smile": "CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CC(C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)OC8C(C(C(C(O8)CO)O)O)O)C)C)OC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "714","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1'r,2r,2's,3s,3'r,4's,5r,7's,8'r,9's,12's,13's,16's,18's)-16'-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,3'-dihydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-6-one
(2r,3r,4s,5s,6r)-2-[(2s)-4-[(1s,2s,4s,6r,7s,8r,9s,12s,13r,14r,16r)-16-hydroxy-6-methoxy-7,9,13-trimethyl-14-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
7-ethyl-2,5,11,24-tetrahydroxy-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,3r,6s,8r,11s,12s,14s,15r,16r)-6-{[(2s,3r,4s,5r)-4,5-dihydroxy-3-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-14-hydroxy-7,7,12,16-tetramethyl-15-[(2r,4s,5r)-4,5,6-trihydroxy-6-methylheptan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-9-one
(3r,10s,13r,20s,27s,30s,32r,40s)-36-chloro-29,32-dihydroxy-10,11-dimethyl-27-(2-methylpropyl)-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]tetraconta-28,33,35,37-tetraene-2,9,12,19,26-pentone
(1'r,2s,2'r,3s,4's,5r,7's,8's,9's,12's,13'r,16's)-16'-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-2',3,8'-triol
(2s,3r,4s,5s)-2-{[(2s,3s,4s,5r)-2-{[(1s,3r,6s,8r,9s,11s,12s,14s,15r,16r)-9,14-dihydroxy-15-[(2r,4s,5s)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}-4,5-dihydroxyoxan-3-yl]oxy}oxane-3,4,5-triol
16'-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-2',3,8'-triol
(2r,3s)-2-{[(2s,3r)-1,3-dihydroxy-2-{[(2r)-1-hydroxy-2-{[(3r)-1-hydroxy-9-methyl-3-({[(2r,3s,4r,5r)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl}amino)decylidene]amino}-3-(c-hydroxycarbonimidoyl)propylidene]amino}-3-(c-hydroxycarbonimidoyl)propylidene]amino}-3-hydroxy-3-phenylpropanoic acid
(1'r,2s,2's,3s,4's,5r,7's,8's,9'r,10's,12's,13'r,16's)-16'-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,8',10'-triol
2-(4-{16-hydroxy-6-methoxy-7,9,13-trimethyl-14-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
1-(7-{[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl)ethanone
(4s)-2-[(4r)-2-{2-[(2s,3r,4r,5s,6s,7r)-4,6-dihydroxy-2-methoxy-3,5,7-trimethyldecyl]-1,3-thiazol-4-yl}-4-methyl-5h-1,3-thiazol-4-yl]-n-[(2r,3s,4s,5s)-1-ethoxy-3-hydroxy-2,5-dimethyl-1-oxoheptan-4-yl]-4-methyl-5h-1,3-thiazole-4-carboximidic acid
C37H62N4O7S3 (770.3780421999999)
16'-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-15'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-10'-one
2,5,11-trihydroxy-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-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
1-[(1s,3as,3bs,7s,9ar,9bs,11as)-7-{[(2r,4s,5s)-4-hydroxy-6-(hydroxymethyl)-5-{[(2s,3r,5r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3-{[(2s,3s,5r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone
16'-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,3'-dihydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-6-one
(1s,4r,7s,10s,13s,16s)-4-ethyl-2,5,11,24-tetrahydroxy-10-[(4-methoxyphenyl)methyl]-7,9,13,15,29-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
16'-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,8',10'-triol
(1'r,2r,2's,4's,5r,7's,8'r,9's,12's,13'r,16's,18's,19's)-5,7',9',13'-tetramethyl-16',19'-bis({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-10'-one
(2r,3r,4s,5s,6r)-2-{[(1s,3r,6s,8r,9s,11s,12s,14s,15r,16s)-14-hydroxy-15-[(2r,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,16-trimethyl-6-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-[(8-{[5-(acetyloxy)-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-14-yl]oxy}-1-hydroxy-8-oxooctylidene)amino]-5-carbamimidamidopentanoic acid
4-ethyl-2,5,11,24-tetrahydroxy-10-[(4-methoxyphenyl)methyl]-7,9,13,15,29-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
1-[(3as,3bs,7r,9r,9ar,9bs,11as)-7-hydroxy-9-{[(2r,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone
1-[(1s,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}-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone
(1r,2s,4s,6r,7s,8r,9s,12s,13r,18s,19s)-6-methoxy-7,9,13-trimethyl-6-[(3s)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-19-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-one
n-[5-benzyl-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-2,15-bis(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]butanimidic acid
1-(7-hydroxy-9-{[5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-9a,11a-dimethyl-3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl)ethanone
2-({14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,16-trimethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-9-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{4-[(1s,2s,4s,6r,7s,8r,9s,12s,13r,14r,16s,18r,19r)-6-hydroxy-19-methoxy-7,9,13-trimethyl-14-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-5-oxahexacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸.0¹⁶,¹⁸]icosan-6-yl]-2-methylbutoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2e)-n-[(1s)-2-(3,5-difluorophenyl)-1-{[(3s,9s,13s,15r,19s,22s)-21-hydroxy-15,19-dimethyl-2,8,12,18-tetraoxo-11-oxa-1,7,17,20-tetraazatetracyclo[20.4.0.0³,⁷.0¹³,¹⁷]hexacos-20-en-9-yl]-c-hydroxycarbonimidoyl}ethyl]hept-2-enimidic acid
C39H52F2N6O8 (770.3814496000001)