Exact Mass: 700.3587451999999
Exact Mass Matches: 700.3587451999999
Found 176 metabolites which its exact mass value is equals to given mass value 700.3587451999999,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
CHALCOMYCIN
Posaconazole
C37H42F2N8O4 (700.3296915999999)
Posaconazole is only found in individuals that have used or taken this drug. It is a triazole antifungal drug that is used to treat invasive infections by Candida species and Aspergillus species in severely immunocompromised patients.As a triazole antifungal agent, posaconazole exerts its antifungal activity through blockage of the cytochrome P-450 dependent enzyme, sterol 14alpha-demethylase, in fungi by binding to the heme cofactor located on the enzyme. This leads to the inhibition of the synthesis of ergosterol, a key component of the fungal cell membrane, and accumulation of methylated sterol precursors. This results in inhibition of fungal cell growth and ultimately, cell death.
Tyr-D-thr-gly-phe-leu-thr
PA(13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
C36H61O11P (700.3951285999999)
PA(13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 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(13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of one tridecanoyl at the C-1 position and one chain of Lipoxin A5 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/13:0)
C36H61O11P (700.3951285999999)
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/13:0) 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/13:0), in particular, consists of one chain of one Lipoxin A5 at the C-1 position and one chain of tridecanoyl 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(a-13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
C36H61O11P (700.3951285999999)
PA(a-13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 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(a-13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of one 10-methyldodecanoyl at the C-1 position and one chain of Lipoxin A5 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/a-13:0)
C36H61O11P (700.3951285999999)
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/a-13:0) 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/a-13:0), in particular, consists of one chain of one Lipoxin A5 at the C-1 position and one chain of 10-methyldodecanoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized 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(i-13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
C36H61O11P (700.3951285999999)
PA(i-13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 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(i-13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of one 11-methyldodecanoyl at the C-1 position and one chain of Lipoxin A5 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/i-13:0)
C36H61O11P (700.3951285999999)
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/i-13:0) 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/i-13:0), in particular, consists of one chain of one Lipoxin A5 at the C-1 position and one chain of 11-methyldodecanoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized 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).
12-(2-Methylbutanoyl),1,7,11-tri-Ac,Me ester-1,3,7,11,12-Pentahydroxy-14-meliacen-28-oic acid|28-nor-4alpha-carbomethoxy-11beta-acetoxy-12alpha-(2-methylbutanoyloxy)-14,15-deoxyhavanensin-1,7-diacetate
rel-(2S,3S,4E,6S,7R,8R,9S,11E,13S,14S,15R)-7,8,9,14,15-pentaacetoxy-3-(benzoyloxy)-6-hydroxyjatropha-4,11-diene
alpha-L-rhamnopyranosyl(1 -> 4)-beta-D-glycopyranosyl(1 -> 3)-mollugogenol
Me glycoside,2,3,3,4,6-pentabenzyl-Pyranose-2-O-alpha-L-Rhamnopyranosyl-D-galactose
Gamabufotalin-3-pimeloylarginin-ester|Gammabufotalin-3-pimeloyl-argininester
(+)-leucascandrolide|(+)-leucascandrolide A|Leucascandrolide A
C38H56N2O10 (700.3934756000001)
Bipindogenin-3-O-??-D-xylopyranosyl(1鈥樏傗垎4)-??-D-allopyranoside
20S,25-epoxy-3beta,23beta,24beta,27,29-pentahydroxydammaran-21-oic acid 3-O-beta-D-glucopyranoside|gentirigeoside D
Posaconazole
C37H42F2N8O4 (700.3296915999999)
J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use > J02AC - Triazole and tetrazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
n-(4-((1e,22e)-4-((e)-4-((2-ethyl-6-tolyl)(phenyl)amino)styryl)styryl)phenyl)-n-(2-ethyl-6-tolyl)benzenamine
4-(4-(4-(4-(((3S,5S)-5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-((2S,3S)-2-hydroxypentan-3-yl)-1H-1,2,4-triazol-5(4H)-one
C37H42F2N8O4 (700.3296915999999)
2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2R)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
C37H42F2N8O4 (700.3296915999999)
1,4-Anhydro-2,3,5-trideoxy-4-C-(2,4-difluorophenyl)-2-[[4-[4-[4-[1-[(1S,2R)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-5-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol
C37H42F2N8O4 (700.3296915999999)
(1S,2E,5S,7S,8R,9S,10E,14R,15R,16S)-5-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-8-[(2S,3R,4S,6R)-3-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-5,7,9,14-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadeca-2,10-diene-4,12-dione
PA(13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
C36H61O11P (700.3951285999999)
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/13:0)
C36H61O11P (700.3951285999999)
PA(a-13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
C36H61O11P (700.3951285999999)
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/a-13:0)
C36H61O11P (700.3951285999999)
PA(i-13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
C36H61O11P (700.3951285999999)
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/i-13:0)
C36H61O11P (700.3951285999999)
Peritol
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D005765 - Gastrointestinal Agents D018926 - Anti-Allergic Agents
(1R,2R,3R,6E,8S,9S,10S,12S,14E,16R)-12-hydroxy-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-9-[(2S,3R,4S,6R)-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
N-[(3S,9S,10R)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3,5-dimethyl-4-isoxazolesulfonamide
[(1R,2R,3aR,5S,6E,9S,10S,11S,13R,13aS)-1,9,10-triacetyloxy-2,3a-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-13-(2-methylpropanoyloxy)-4-oxo-1,3,5,9,10,11,13,13a-octahydrocyclopenta[12]annulen-11-yl] benzoate
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
[(1R,2R,3aR,5S,6E,9S,10S,11S,13R,13aS)-1,2,9-triacetyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropanoyloxy)-4-oxo-1,3,5,9,10,11,13,13a-octahydrocyclopenta[12]annulen-13-yl] benzoate
[(2S,3S,6S)-6-[3-decanoyloxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
C35H56O12S (700.3492296000001)
[(2S,3S,6S)-6-[3-[(E)-dec-4-enoyl]oxy-2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
C35H56O12S (700.3492296000001)
[(2S,3S,6S)-6-[3-[(4E,7E)-deca-4,7-dienoyl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
C35H56O12S (700.3492296000001)
9-(3,4-dihydroxyphenyl)-1-{3-[(1r)-1-(2,6-dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)nonyl]-2,6-dihydroxyphenyl}nonan-1-one
(1s,2r,4s,5r,6s,8e,10s,12s,14r,15r)-5,6,15-tris(acetyloxy)-12,14-dihydroxy-7,7,10,14-tetramethyl-3-methylidene-11,16-dioxo-4-phenoxybicyclo[10.3.1]hexadec-8-en-2-yl 2-methylpropanoate
n-{2-[({11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methoxy)carbonyl]phenyl}-4-methoxy-4-oxobutanimidic acid
[(1s,4ar,6s,7r,7as)-6-(acetyloxy)-4a,7-dihydroxy-4-({[(2r)-3-methyl-2-[(3-methylbutanoyl)oxy]butanoyl]oxy}methyl)-1-[(3-methylbutanoyl)oxy]-1h,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl 3-(acetyloxy)-3-methylbutanoate
(1'r,2s,3r,4s,4's,5r,6s,8'r,10'z,12'r,13's,14'z,16'z,20'r,21'r,24's)-6-[(2e)-but-2-en-2-yl]-3,12',24'-trihydroxy-21'-methoxy-5,11',13',22'-tetramethyl-2'-oxo-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-4-yl 2-methylpropanoate
(7r,8s,10r)-10-{[(2r,4r,5r,6r)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-7-{[(2s,4r,5r,6r)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-8-ethyl-1,4,6,8-tetrahydroxy-9,10-dihydro-7h-tetracene-5,12-dione
C36H48N2O12 (700.3207087999999)
2-[(4-{[2-(acetyloxy)-3a-hydroxy-9a,11a-dimethyl-1-(6-oxopyran-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-1-hydroxy-4-oxobutylidene)amino]-5-carbamimidamidopentanoic acid
C36H52N4O10 (700.3683252000001)
n-[2-({[(1s,2r,3r,4s,5r,6s,8r,9s,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methoxy}carbonyl)phenyl]-4-methoxy-4-oxobutanimidic acid
3-({2-[({11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methoxy)carbonyl]phenyl}-c-hydroxycarbonimidoyl)-3-methylpropanoic acid
(1s,2r,3r,6e,8s,9r,10s,12s,14e,16s)-12-hydroxy-2-({[(2r,3r,4r,5r,6r)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-9-{[(2s,3r,4s,6r)-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
bipindogenin-3-o-β-d-xylopyranosyl(1→4)-β-d-allopyranoside
{"Ingredient_id": "HBIN018542","Ingredient_name": "bipindogenin-3-o-\u03b2-d-xylopyranosyl(1\u21924)-\u03b2-d-allopyranoside","Alias": "NA","Ingredient_formula": "C34H52O15","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2401","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
n-{3-[4-(5-{[3-methoxy-18-methyl-13-(4-methylpent-1-en-1-yl)-11-oxo-12,19,20-trioxatricyclo[13.3.1.1⁵,⁹]icosan-7-yl]oxy}-5-oxopent-3-en-1-yl)-1,3-oxazol-2-yl]prop-2-en-1-yl}methoxycarboximidic acid
C38H56N2O10 (700.3934756000001)
methyl (1'r,11r,12'r,15s,22'r,25r)-19-methoxy-8,15'-dioxa-4,8',17,19'-tetraazaspiro[heptacyclo[11.10.1.1¹,⁴.0⁷,¹¹.0¹⁷,²⁴.0¹⁸,²³.0¹¹,²⁵]pentacosane-15,17'-hexacyclo[10.9.1.0¹,⁹.0²,⁷.0¹²,¹⁶.0¹⁹,²²]docosan]-2',4',6',9',13(24),18,20,22-octaene-10'-carboxylate
C43H48N4O5 (700.3624517999999)
[(2r,3s,4s,5r,6r)-6-{[(2r,4ar,6ar,8s,10ar,10bs)-4-hydroxy-7,7,10a-trimethyl-2-(2-oxo-5h-furan-3-yl)-decahydro-1h-naphtho[2,1-c]pyran-8-yl]oxy}-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate
(2s)-2-[(4-{[(1r,2s,3as,3br,5ar,7s,9as,9bs,11ar)-2-(acetyloxy)-3a-hydroxy-9a,11a-dimethyl-1-(6-oxopyran-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-1-hydroxy-4-oxobutylidene)amino]-5-carbamimidamidopentanoic acid
C36H52N4O10 (700.3683252000001)
4,5-dihydroxy-6-(hydroxymethyl)-2-[6-(hydroxymethyl)-3a,3b,6,9a-tetramethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-6-methyloxane-2-carboxylic acid
n-[(2z)-3-{4-[(3z)-5-{[(1r,3r,5r,7r,9r,13r,15s,18s)-3-methoxy-18-methyl-13-[(1e)-4-methylpent-1-en-1-yl]-11-oxo-12,19,20-trioxatricyclo[13.3.1.1⁵,⁹]icosan-7-yl]oxy}-5-oxopent-3-en-1-yl]-1,3-oxazol-2-yl}prop-2-en-1-yl]methoxycarboximidic acid
C38H56N2O10 (700.3934756000001)
(3e,5s,6s,7s,9r,13e,15r,16r)-6-{[(2s,3r,4s,6r)-3,4-dihydroxy-4-[(1s)-1-hydroxyethyl]-6-methyloxan-2-yl]oxy}-15-({[(2r,3r,4r,5r,6r)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-5,7,9,16-tetramethyl-1-oxacyclohexadeca-3,13-diene-2,10-dione
3-({2-[({11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methoxy)carbonyl]phenyl}-c-hydroxycarbonimidoyl)-2-methylpropanoic acid
(1s,2s,3ar,4s,5s,9s,10r,11r,12s)-3a,4,9,10,11-pentakis(acetyloxy)-12-hydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h-cyclopenta[12]annulen-1-yl benzoate
(2r,3r,3ar,4r,6s,7s,8s,12s,13ar)-2,7,8-tris(acetyloxy)-3,13a-dihydroxy-2,9,9,12-tetramethyl-5-methylidene-4-[(2-methylpropanoyl)oxy]-13-oxo-1h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-6-yl benzoate
17-(acetyloxy)-8-(furan-3-yl)-4-hydroxy-1,9,11,16-tetramethyl-12-{[(2e)-3-phenylprop-2-enoyl]oxy}-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 2-methylprop-2-enoate
(6e,14e)-12-hydroxy-2-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-9-[(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
(2r,3r,3as,4r,6r,7s,8s,12s,13ar)-3,7,8-tris(acetyloxy)-2,13a-dihydroxy-2,9,9,12-tetramethyl-5-methylidene-4-[(2-methylpropanoyl)oxy]-13-oxo-1h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-6-yl benzoate
3,7,8-tris(acetyloxy)-2,13a-dihydroxy-2,9,9,12-tetramethyl-5-methylidene-4-[(2-methylpropanoyl)oxy]-13-oxo-1h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-6-yl benzoate
n-[2-({[(1s,2r,3r,4s,5r,6s,8r,9s,10s,13s,16r,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methoxy}carbonyl)phenyl]-4-methoxy-4-oxobutanimidic acid
[6-(acetyloxy)-4a,7-dihydroxy-4-[({3-methyl-2-[(3-methylbutanoyl)oxy]butanoyl}oxy)methyl]-1-[(3-methylbutanoyl)oxy]-1h,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl 3-(acetyloxy)-3-methylbutanoate
(9s,10s,11s,14s,20s,21s)-31-amino-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.0⁵,³³]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone
C40H48N2O9 (700.3359638000001)
2-{[2,5-dihydroxy-3,6-dioxo-4-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)cyclohexa-1,4-dien-1-yl]methyl}-3,6-dihydroxy-5-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)cyclohexa-2,5-diene-1,4-dione
[(2r,3s,4s,5r,6r)-6-{[(2s,4r,4as,6ar,8s,10as,10bs)-4-hydroxy-7,7,10a-trimethyl-2-(5-oxo-2h-furan-3-yl)-decahydro-1h-naphtho[2,1-c]pyran-8-yl]oxy}-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate
n-[3-(n-{4-[(3-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]amino}propyl)amino]butyl}-3-(4-hydroxyphenyl)prop-2-enamido)propyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid
[(1s,4ar,6s,7r,7as)-6-(acetyloxy)-4a,7-dihydroxy-4-[({3-methyl-2-[(3-methylbutanoyl)oxy]butanoyl}oxy)methyl]-1-[(3-methylbutanoyl)oxy]-1h,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl 3-(acetyloxy)-3-methylbutanoate
2-({2,5-dihydroxy-3,6-dioxo-4-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-1,4-dien-1-yl}methyl)-3,6-dihydroxy-5-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-2,5-diene-1,4-dione
5,6,15-tris(acetyloxy)-12,14-dihydroxy-7,7,10,14-tetramethyl-3-methylidene-11,16-dioxo-4-phenoxybicyclo[10.3.1]hexadec-8-en-2-yl 2-methylpropanoate
2-{8-[2-(2-aminophenyl)-2-oxoethyl]-3,6,9,12,15,18-hexahydroxy-11,14-bis(2-methylpropyl)-17-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl}ethanimidic acid
C34H52N8O8 (700.3907912000001)
[(2r,3s,4s,5r,6r)-6-{[(2r,4s,4as,6ar,8s,10ar,10br)-4-hydroxy-7,7,10a-trimethyl-2-(5-oxo-2h-furan-3-yl)-decahydro-1h-naphtho[2,1-c]pyran-8-yl]oxy}-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate
(2s,4s,5s,6s)-2-[(1s,3ar,3br,5ar,6s,7s,9ar,9br,11ar)-6-(hydroxymethyl)-3a,3b,6,9a-tetramethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-4,5-dihydroxy-6-(hydroxymethyl)-6-methyloxane-2-carboxylic acid
(7r,8r,10s)-10-{[(2r,4s,5s,6s)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-7-{[(4s,5s,6s)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-8-ethyl-1,6,8,11-tetrahydroxy-9,10-dihydro-7h-tetracene-5,12-dione
C36H48N2O12 (700.3207087999999)
3-{[2-({[(4s,6s,8r,13s,16r,17r)-11-ethyl-9-hydroxy-4,6,8,16,18-pentamethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methoxy}carbonyl)phenyl]-c-hydroxycarbonimidoyl}propanoic acid
(3,4-dihydroxy-6-{[4-hydroxy-7,7,10a-trimethyl-2-(5-oxo-2h-furan-3-yl)-decahydro-1h-naphtho[2,1-c]pyran-8-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methyl acetate
(2r)-3-{[2-({[(1s,2r,3r,4s,5r,6s,8r,9s,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methoxy}carbonyl)phenyl]-c-hydroxycarbonimidoyl}-2-methylpropanoic acid
2-[14-(3,5-dihydroxy-6-methyloxan-2-yl)-4,9,14,20-tetramethyl-5,15-dioxo-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),2,6(24),7,9,11,13(22),16,18-nonaen-4-yl]-5-hydroxy-6-methyloxan-3-yl acetate
n-[(2z)-3-{4-[(3z)-5-{[(1r,3s,5r,7r,9r,13r,15s,18s)-3-methoxy-18-methyl-13-[(1e)-4-methylpent-1-en-1-yl]-11-oxo-12,19,20-trioxatricyclo[13.3.1.1⁵,⁹]icosan-7-yl]oxy}-5-oxopent-3-en-1-yl]-1,3-oxazol-2-yl}prop-2-en-1-yl]methoxycarboximidic acid
C38H56N2O10 (700.3934756000001)
7,10-bis({[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy})-8-ethyl-1,6,8,11-tetrahydroxy-9,10-dihydro-7h-tetracene-5,12-dione
C36H48N2O12 (700.3207087999999)
(7r,8r,10s)-7,10-bis({[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy})-8-ethyl-1,6,8,11-tetrahydroxy-9,10-dihydro-7h-tetracene-5,12-dione
C36H48N2O12 (700.3207087999999)
2-[14-(3,5-dihydroxy-6-methyloxan-2-yl)-4,10,14,19-tetramethyl-5,15-dioxo-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),6,8,10,12,16(22),17,19-nonaen-4-yl]-5-hydroxy-6-methyloxan-3-yl acetate
(6z,14z)-12-hydroxy-2-({[(2r,3r,4r,5r,6r)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-9-{[(2s,3r,4s,6r)-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
(7e,9s,10s,11s,12e,14s,16e,20s,21s,22e,24z,26z)-31-amino-4,10,14,20,28-pentahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.0⁵,³³]tetratriaconta-1(33),2,4,7,12,16,22,24,26,28,30-undecaene-6,18,32,34-tetrone
C40H48N2O9 (700.3359638000001)
(2e)-n-{3-[(2e)-n-{4-[(3-{[(2e)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]amino}propyl)amino]butyl}-3-(4-hydroxyphenyl)prop-2-enamido]propyl}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid
(5r,6r)-6-[(1s,3as,5ar,7r,8r,9s,9ar,9br,11ar)-3a,7,8,9-tetrahydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl acetate
6-{3a,7,8,9-tetrahydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl acetate
3a,4,9,10,11-pentakis(acetyloxy)-12-hydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h-cyclopenta[12]annulen-1-yl benzoate
(1s,2r,4s,5r,6s,8e,10s,12r,14r,15r)-5,6,15-tris(acetyloxy)-12,14-dihydroxy-7,7,10,14-tetramethyl-3-methylidene-11,16-dioxo-4-phenoxybicyclo[10.3.1]hexadec-8-en-2-yl 2-methylpropanoate
(3r)-3-{[2-({[(1s,2r,3r,4s,5r,6s,8r,9s,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methoxy}carbonyl)phenyl]-c-hydroxycarbonimidoyl}-3-methylpropanoic acid
(1s,2s,3ar,4s,5s,9s,10r,11r,12r)-3a,4,9,10,11-pentakis(acetyloxy)-12-hydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h-cyclopenta[12]annulen-1-yl benzoate
31-amino-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.0⁵,³³]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone
C40H48N2O9 (700.3359638000001)
7,10-bis({[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy})-8-ethyl-1,4,6,8-tetrahydroxy-9,10-dihydro-7h-tetracene-5,12-dione
C36H48N2O12 (700.3207087999999)
(7e,9s,10s,11s,12e,14s,16e,20s,21s,22e)-31-amino-4,10,14,20,28-pentahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.0⁵,³³]tetratriaconta-1(33),2,4,7,12,16,22,24,26,28,30-undecaene-6,18,32,34-tetrone
C40H48N2O9 (700.3359638000001)
2-[(2s,8s,11s,14r,17s)-8-[2-(2-aminophenyl)-2-oxoethyl]-17-[(2r)-butan-2-yl]-3,6,9,12,15,18-hexahydroxy-11,14-bis(2-methylpropyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]ethanimidic acid
C34H52N8O8 (700.3907912000001)