Exact Mass: 522.3192516
Exact Mass Matches: 522.3192516
Found 500 metabolites which its exact mass value is equals to given mass value 522.3192516
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
1-Oleoylglycerophosphocholine
Physangulide
Constituent of the famine food Physalis angulata (cutleaf ground cherry). Physangulide is found in herbs and spices and fruits. Physangulide is found in fruits. Physangulide is a constituent of the famine food Physalis angulata (cutleaf ground cherry).
Polysorbate 20
Polysorbate 20 is an emulsifier, dough improver, crystallisation retarder, solubiliser, stabiliser, flavour dispersant, wetting agent, fruit or vegetable coating, defoamer for yeast/sugar.Polysorbates are a class of emulsifiers used in some pharmaceuticals and food preparation. They are often used in cosmetics to solubilize essential oils into water-based products. Polysorbates are oily liquids derived from PEG-ylated sorbitan (a derivative of sorbitol) esterified with fatty acids. (Wikipedia). Emulsifier, stabiliser, flavouring agent, dispersant
Metabolite M6
Metabolite M6 is a metabolite of indinavir. Indinavir (IDV; trade name Crixivan, manufactured by Merck) is a protease inhibitor used as a component of highly active antiretroviral therapy (HAART) to treat HIV infection and AIDS. (Wikipedia)
PA(10:0/13:0)
PA(10:0/13:0) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(10:0/13:0), in particular, consists of one chain of capric acid at the C-1 position and one chain of tridecylic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.
PA(8:0/15:0)
PA(8:0/15:0) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(8:0/15:0), in particular, consists of one chain of caprylic acid at the C-1 position and one chain of pentadecanoic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.
PA(10:0/a-13:0)
PA(10:0/a-13:0) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(10:0/a-13:0), in particular, consists of one chain of capric acid at the C-1 position and one chain of anteisotridecanoic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.
PA(10:0/i-13:0)
PA(10:0/i-13:0) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(10:0/i-13:0), in particular, consists of one chain of capric acid at the C-1 position and one chain of isotridecanoic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.
PA(8:0/a-15:0)
PA(8:0/a-15:0) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(8:0/a-15:0), in particular, consists of one chain of caprylic acid at the C-1 position and one chain of anteisopentadecanoic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.
PA(8:0/i-15:0)
PA(8:0/i-15:0) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(8:0/i-15:0), in particular, consists of one chain of caprylic acid at the C-1 position and one chain of isopentadecanoic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.
Cholylasparagine
Cholylasparagine belongs to a class of molecules known as bile acid-amino acid conjugates. These are bile acid conjugates that consist of a primary bile acid such as cholic acid, doxycholic acid and chenodeoxycholic acid, conjugated to an amino acid. Cholylasparagine consists of the bile acid cholic acid conjugated to the amino acid Asparagine conjugated at the C24 acyl site.Bile acids play an important role in regulating various physiological systems, such as fat digestion, cholesterol metabolism, vitamin absorption, liver function, and enterohepatic circulation through their combined signaling, detergent, and antimicrobial mechanisms (PMID: 34127070). Bile acids also act as detergents in the gut and support the absorption of fats through the intestinal membrane. These same properties allow for the disruption of bacterial membranes, thereby allowing them to serve a bacteriocidal or bacteriostatic function. In humans (and other mammals) bile acids are normally conjugated with the amino acids glycine and taurine by the liver. This conjugation catalyzed by two liver enzymes, bile acid CoA ligase (BAL) and bile acid CoA: amino acid N-acyltransferase (BAT). Glycine and taurine bound BAs are also referred to as bile salts due to their decreased pKa and complete ionization resulting in these compounds being present as anions in vivo. Unlike glycine and taurine-conjugated bile acids, these recently discovered bile acids, such as Cholylasparagine, are produced by the gut microbiota, making them secondary bile acids (PMID: 32103176) or microbially conjugated bile acids (MCBAs) (PMID: 34127070). Evidence suggests that these bile acid-amino acid conjugates are produced by microbes belonging to Clostridia species (PMID: 32103176). These unusual bile acid-amino acid conjugates are found in higher frequency in patients with inflammatory bowel disease (IBD), cystic fibrosis (CF) and in infants (PMID: 32103176). Cholylasparagine appears to act as an agonist for the farnesoid X receptor (FXR) and it can also lead to reduced expression of bile acid synthesis genes (PMID: 32103176). It currently appears that microbially conjugated bile acids (MCBAs) or amino acid-bile acid conjugates are only conjugated to cholic acid, deoxycholic acid and chenodeoxycholic acid (PMID: 34127070). It has been estimated that if microbial conjugation of bile acids is very promiscuous and occurs for all potential oxidized, epimerized, and dehydroxylated states of each hydroxyl group present on cholic acid (C3, C7, C12) in addition to ring orientation, the total number of potential human bile acid conjugates could be over 2800 (PMID: 34127070).
Polysorbate 80
Emulsifier, surfactant in production of coarse cryst. NaCl, stabiliser, wetting agent in poultry scalds, colour diluent, flavour. Polysorbate 80 is a nonionic surfactant and emulsifier derived from polyethoxylated sorbitan and oleic acid, and is often used in foods. Polysorbate 80 is a viscous, water-soluble yellow Liquid. Emulsifier, surfactant in production of coarse cryst. NaCl, stabiliser, wetting agent in poultry scalds, colour diluent, flavour
20-Hydroxyecdysone 2-acetate
2-O-Acetyl-20-hydroxyecdysone, an ecdysterones in insects and terrestrial plants, inhibits amyloid-β42 (Aβ42)-induced cytotoxicity. 2-O-Acetyl-20-hydroxyecdysone could decrease Aβ oligomer formation through promotion of fibrogenesis, transforming Aβ oligomers to the low-toxicity fibrils[1].
CID 154831723
4-({5-[5-hydroxy-3-({[(2Z)-2-methylbut-2-enoyl]oxy}methyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}methoxy)-4-oxobutanoic acid
(6-acetyl) 19-beta-D-glucopyranosyloxy-8(17),13-ent-labdadien-15->16 lactone
[3,4,6-Trihydroxy-6-[2-(1,3-oxazol-5-ylmethyl)-1,3-oxazol-4-yl]hexan-2-yl] pentadecanoate
2beta-acetoxy-1beta,8-diangeloyloxy-3beta,4beta-epoxy-10-hydroxy11-methoxybisabol-7(14)-ene
3-O-acetylteikagenin-3-O-beta-D-fucopyranoside (basikoside B)|3-O-acetylteikagenin-3-O-beta-D-fucopyranoside
(1R*,2R*,3E,11R*,12S*)-2-O-acetyl-16-O-(3-hydroxy-3-methylglutaryl)-2,16,18-trihydroxydolabella-3,8(17)-dien-7-one
3,4-seco-olean-12-en-4,7alpha,15alpha,22alpha,24-pentaol-3-oic acid
methyl (13Z,15E,17E,22E)-3beta-acetoxy-12-oxomalabarica-13,15,17,22,24-pentaen-28-oate
(1S,182R,183R)-182-(4-hydroxy-3-methoxy-phenyl)-182,3-dihydro-2,6,11,15-tetraaza-18(5,3)-benzofurana-bicyclo[9.6.2]nonadecaphane-16,19-dione|Ephedradin B|Ephedradine B|ephedradine-B
(3beta,9beta,14beta)-14-hydroxy-9,19-cyclocholan-3-yl beta-D-glucopyranoside
(3beta,14beta,17beta)-3,14,17-trihydroxy-21-methoxypregn-5-en-20-one-3-O-beta-cymaropyranoside|perisepiumoside D
(3beta,5alpha,16beta,20S)-3,16-dihydroxy-6-oxopregnane-20-carboxylic acid gamma-lactone 3-(beta-D-glucopyranoside)|(3beta,5alpha,16beta,20S)-3-(beta-D-glucopyranosyloxy)-16-hydroxy-6-oxopregnane-20-carboxylic acid gamma-lactone|ypsilactoside A
14-O-beta-D-glucopyranosyl-(2E,4E,7S,8E,10E,12E,14R)-7,9,13,17-tetramethyl-7,14-dihydroxy-2,4,8,10,12,16-octadecahexaenoic acid
2beta,3beta,14alpha,20beta-tetrahydroxy-22alpha-(2-hydroxyacetoxy)-5beta-colest-7-en-6-one
schiprolactone A
A tetracyclic triterpenoid isolated from Schisandra propinqua and Schisandra henryi. It has been shown to exhibit cytotoxic activity against Leukemia cells.
Ivain II
A diterpenoid isolated from the aerial parts of Ajuga bracteosa and has been shown to exhibit antifeedant activity.
N,N-dimethyl-L-threonine (4S)-7t-isobutyl-5,8-dioxo-3t-phenyl-2-oxa-6,9-diaza-1(1,4)-benzena-cycloundecaphan-10c-en-4r-ylamide|Nummularin-E|nummularine-E
13-epi-manoyl oxide-19-O-alpha-L-2,5-diacetoxyarabinofuranoside
Phe Gln Thr Lys
Tyr Asn Val Lys
Phe Thr Lys Lys
4-({5-[5-hydroxy-3-({[(2Z)-2-methylbut-2-enoyl]oxy}methyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}methoxy)-4-oxobutanoic acid_major
((4R)-4-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycylglycine
Phe Phe Ile Pro
Phe Phe Leu Pro
Phe Phe Pro Ile
Phe Phe Pro Leu
Phe Ile Phe Pro
Phe Ile Ile Met
Phe Ile Leu Met
Phe Ile Met Ile
Phe Ile Met Leu
Phe Ile Pro Phe
Phe Lys Lys Thr
Phe Lys Gln Thr
Phe Lys Thr Lys
Phe Lys Thr Gln
Phe Leu Phe Pro
Phe Leu Ile Met
Phe Leu Leu Met
Phe Leu Met Ile
Phe Leu Met Leu
Phe Leu Pro Phe
Phe Met Ile Ile
Phe Met Ile Leu
Phe Met Leu Ile
Phe Met Leu Leu
Phe Pro Phe Ile
Phe Pro Phe Leu
Phe Pro Ile Phe
Phe Pro Leu Phe
Phe Gln Lys Thr
Phe Thr Lys Gln
Phe Thr Gln Lys
Gly Lys Arg Tyr
Gly Lys Tyr Arg
Gly Arg Lys Tyr
Gly Arg Tyr Lys
Gly Tyr Lys Arg
Gly Tyr Arg Lys
Ile Phe Phe Pro
Ile Phe Ile Met
Ile Phe Leu Met
Ile Phe Met Ile
Ile Phe Met Leu
Ile Phe Pro Phe
Ile Ile Phe Met
Ile Ile Met Phe
Ile Leu Phe Met
Ile Leu Met Phe
Ile Met Phe Ile
Ile Met Phe Leu
Ile Met Ile Phe
Ile Met Leu Phe
Ile Pro Phe Phe
Lys Phe Lys Thr
Lys Phe Gln Thr
Lys Phe Thr Lys
Lys Phe Thr Gln
Lys Gly Arg Tyr
Lys Gly Tyr Arg
Lys Lys Phe Thr
Lys Lys Thr Phe
Lys Asn Val Tyr
Lys Asn Tyr Val
Lys Gln Phe Thr
Lys Gln Thr Phe
Lys Arg Gly Tyr
Lys Arg Tyr Gly
Lys Thr Phe Lys
Lys Thr Phe Gln
Lys Thr Lys Phe
Lys Thr Gln Phe
Lys Val Asn Tyr
Lys Val Tyr Asn
Lys Tyr Gly Arg
Lys Tyr Asn Val
Lys Tyr Arg Gly
Lys Tyr Val Asn
Leu Phe Phe Pro
Leu Phe Ile Met
Leu Phe Leu Met
Leu Phe Met Ile
Leu Phe Met Leu
Leu Phe Pro Phe
Leu Ile Phe Met
Leu Ile Met Phe
Leu Leu Phe Met
Leu Leu Met Phe
Leu Met Phe Ile
Leu Met Phe Leu
Leu Met Ile Phe
Leu Met Leu Phe
Leu Pro Phe Phe
Met Phe Ile Ile
Met Phe Ile Leu
Met Phe Leu Ile
Met Phe Leu Leu
Met Ile Phe Ile
Met Ile Phe Leu
Met Ile Ile Phe
Met Ile Leu Phe
Met Leu Phe Ile
Met Leu Phe Leu
Met Leu Ile Phe
Met Leu Leu Phe
Asn Lys Val Tyr
Asn Lys Tyr Val
Asn Val Lys Tyr
Asn Val Tyr Lys
Asn Tyr Lys Val
Asn Tyr Val Lys
Pro Phe Phe Ile
Pro Phe Phe Leu
Pro Phe Ile Phe
Pro Phe Leu Phe
Pro Ile Phe Phe
Pro Leu Phe Phe
Gln Phe Lys Thr
Gln Phe Thr Lys
Gln Lys Phe Thr
Gln Lys Thr Phe
Gln Thr Phe Lys
Gln Thr Lys Phe
Arg Gly Lys Tyr
Arg Gly Tyr Lys
Arg Lys Gly Tyr
Arg Lys Tyr Gly
Arg Tyr Gly Lys
Arg Tyr Lys Gly
Thr Phe Lys Lys
Thr Phe Lys Gln
Thr Phe Gln Lys
Thr Lys Phe Lys
Thr Lys Phe Gln
Thr Lys Lys Phe
Thr Lys Gln Phe
Thr Gln Phe Lys
Thr Gln Lys Phe
Val Lys Asn Tyr
Val Lys Tyr Asn
Val Asn Lys Tyr
Val Asn Tyr Lys
Val Tyr Lys Asn
Tyr Gly Lys Arg
Tyr Gly Arg Lys
Tyr Lys Gly Arg
Tyr Lys Arg Gly
Tyr Arg Gly Lys
Tyr Arg Lys Gly
Alkest TW 20
D010592 - Pharmaceutic Aids > D014677 - Pharmaceutical Vehicles > D005079 - Excipients D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D013501 - Surface-Active Agents > D011136 - Polysorbates D001697 - Biomedical and Dental Materials
Physangulide
14-O-(beta-D-glucopyranosyl)-7S,14R-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid
14-O-(alpha-D-glucopyranosyl)-7S,14S-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid
14-O-(alpha-D-mannopyranosyl)-7S,14S-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid
glas#22
An ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#22 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans.
ST 29:3;O8
2,2-dimethylpropane-1,3-diol,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,hexane-1,6-diol,terephthalic acid
benzene-1,3-dicarboxylic acid,2,2-dimethylpropane-1,3-diol,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,hexane-1,6-diol
butane-1,4-diol,1,6-diisocyanatohexane,hexanedioic acid,hexane-1,6-diol
1-O-{(12R)-12-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tridecanoyl}-beta-D-glucopyranose
[(2S,3R,4S,6R)-2-[[(3E,5S,6S,7S,9R,11E,13E,15R,16R)-16-ethyl-15-(hydroxymethyl)-5,7,9-trimethyl-2,10-dioxo-1-oxacyclohexadeca-3,11,13-trien-6-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-dimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-octadec-11-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[2-hydroxy-3-[(E)-octadec-6-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
4-(aminomethyl)-N-[1-(octylamino)-1-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-yl]-1-cyclohexanecarboxamide
3-hydroxy-5-({(1R,2R,6R)-2-hydroxy-6-[(2E,6E)-11-hydroxy-3,7,11-trimethyldodeca-2,6-dien-1-yl]-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl}methoxy)-3-methyl-5-oxopentanoic acid
(1R,2R,6R)-6-[(2E,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-3-methyl-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl beta-D-glucopyranoside
1-[(4S,7S,8R)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
(4r,7r,18e)-4,7-Dihydroxy-N,N,N-Trimethyl-10-Oxo-3,5,9-Trioxa-4-Phosphaheptacos-18-En-1-Aminium 4-Oxide
4-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
1-[(4R,7S,8R)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
1-[(4S,7S,8S)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
1-[(4R,7R,8R)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
1-[(4R,7S,8S)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
1-[(4S,7R,8R)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
1-[(4S,7R,8S)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
1-[(4R,7R,8S)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
((4R)-4-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycylglycine
2-[hydroxy-[2-hydroxy-3-[(E)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-octadec-6-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-3-hydroxy-2-[(Z)-octadec-6-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[(2R)-2-acetyloxy-3-[(Z)-hexadec-9-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2,3-dihydroxypropyl [2-hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoxy]propyl] hydrogen phosphate
[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (9Z,12Z)-nonadeca-9,12-dienoate
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) icosanoate
(1-Nonanoyloxy-3-phosphonooxypropan-2-yl) tetradecanoate
(1-Hexanoyloxy-3-phosphonooxypropan-2-yl) heptadecanoate
(1-Heptanoyloxy-3-phosphonooxypropan-2-yl) hexadecanoate
(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) octadecanoate
(1-Octanoyloxy-3-phosphonooxypropan-2-yl) pentadecanoate
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) nonadecanoate
(1-Acetyloxy-3-phosphonooxypropan-2-yl) henicosanoate
(1-Phosphonooxy-3-undecanoyloxypropan-2-yl) dodecanoate
(1-Decanoyloxy-3-phosphonooxypropan-2-yl) tridecanoate
2-[[2-acetyloxy-3-[(Z)-hexadec-9-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2S)-3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(E)-octadec-6-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[(2R)-1-phosphonooxy-3-undecanoyloxypropan-2-yl] dodecanoate
2-[hydroxy-[(2R)-2-hydroxy-3-[(E)-octadec-4-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-octadec-17-enoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(E)-octadec-11-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(E)-octadec-13-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] tridecanoate
2-[hydroxy-[3-hydroxy-2-[(Z)-octadec-4-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(E)-octadec-7-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[(2R)-3-phosphonooxy-2-undecanoyloxypropyl] dodecanoate
[1-carboxy-3-[2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-propanoyloxypropoxy]propyl]-trimethylazanium
2-[[2-butanoyloxy-3-[(Z)-tetradec-9-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-acetyloxy-2-[(Z)-pentadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-butanoyloxy-2-[(Z)-tridec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[3-propanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[3-[(Z)-16,16,17,17,18,18,18-heptadeuteriooctadec-9-enoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[2-pentanoyloxy-3-[(Z)-tridec-9-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[3-[(Z)-pentadec-9-enoxy]-2-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] 10-methyldodecanoate
[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] pentadecanoate
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] tridecanoate
yanuthone G
A class I yanuthone that is yanuthone F in which the hydroxy group attached to the epoxycyclohexenone ring has been converted into the corresponding beta-D-glucoside.
yanuthone J
A class I yanuthone that is yanuthone E in which the sesquiterpenoid double bond furthest from the epoxycyclohexenone ring has undergone formal addition of water to give the corresponding tertiary alcohol.
(1r,2r,5s,6s,7r,9r,11r,12r,15s,16s)-15-[(1r)-1-[(2s,4s,5r)-4,5-dihydroxy-4,5-dimethyl-6-oxooxan-2-yl]-1-hydroxyethyl]-5,6-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-3-one
(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7-dihydroxy-9a,11a-dimethyl-5-oxo-1-[(2r,3r)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-8-yl acetate
(2e)-3-[(1s,2s,4as,6s,7r,8s,8ar)-6,7-dihydroxy-3,4a,8-trimethyl-2-[(2e,5r,7s,8r,9r)-5,7,9-trihydroxy-8,10-dimethylundec-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1h-naphthalen-1-yl]-2-methylprop-2-enoic acid
4-hydroxy-7,10,11-trimethyl-2,5-dioxatetracyclo[8.4.0.0¹,³.0⁴,⁸]tetradecan-14-yl 3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate
2-{3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-hydroxy-6-methylheptan-3-yl 2-hydroxyacetate
(1r,3s,4r,7s,8s,10r,11s,14r)-4-hydroxy-7,10,11-trimethyl-2,5-dioxatetracyclo[8.4.0.0¹,³.0⁴,⁸]tetradecan-14-yl (2r,3s,4e)-3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate
(2e)-3-(3,4-dimethoxyphenyl)-1-[(8s)-6-hydroxy-8-phenyl-1,5,9,13-tetraazacycloheptadec-5-en-1-yl]prop-2-en-1-one
4-[(1r,3ar,3bs,5as,7s,9ar,9br,11as)-3a,5a-dihydroxy-9a,11a-dimethyl-7-{[(2s,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
(9r,13s,16r,17r,18s)-8,8,13,17-tetramethyl-16-[(1s)-1-[(2r)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-oxo-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-18-yl acetate
(11s,17r,18r)-24-hydroxy-17-(4-hydroxy-3-methoxyphenyl)-16-oxa-1,6,10,23-tetraazatetracyclo[9.8.6.2¹²,¹⁵.0¹⁴,¹⁸]heptacosa-12(27),13,15(26),23-tetraen-19-one
(1r,3s,5r,7r,8r,10s,13s,14r,15r,18r)-6,6,10,14,18-pentamethyl-15-[(2r,5r)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-ene-7,8,13-triol
5-{[4-(acetyloxy)-1-(2-hydroxypropan-2-yl)-3a-methyl-10-methylidene-9-oxo-1h,2h,3h,4h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-6-yl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acid
(1r,2s,3s,4s,6r,7r,8r,9r,12s)-4,9,12-tris(acetyloxy)-6-isopropyl-3,9-dimethyl-13-methylidene-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-3-yl acetate
(1r,3r,4r,5s,7r,11r,16s)-3,7,12,12,16-pentamethyl-4-[(2r)-1-[(2s)-4-methyl-5-oxo-2h-furan-2-yl]propan-2-yl]-13-oxo-18-oxapentacyclo[13.2.1.0³,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-8(17),14-dien-5-yl acetate
2-{[12-hydroxy-16-methyl-15-(pentan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,3r,7r,8s,10r)-7-methyl-1,8,10-tris(3-methylbut-2-en-1-yl)-2,11,13-trioxo-4-(sec-butyl)-12-oxatricyclo[8.2.1.0³,⁷]tridec-4-ene-5-carbaldehyde
(1r,3ar,3br,4r,5ar,9ar,9br,11ar)-1-hydroxy-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,3ah,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
(2s)-2-({[(3r,4e)-1-[(2s)-6-carbamimidamido-2-[(1-hydroxy-3-methylbutylidene)amino]hexanoyl]-4-ethylidene-3-methylpyrrolidin-2-yl](hydroxy)methylidene}amino)-4-methylpentanoic acid
[(4R,5R)-4,5-dihydroxy-1,1-dimethyl-5-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hexyl] acetate
{"Ingredient_id": "HBIN010866","Ingredient_name": "[(4R,5R)-4,5-dihydroxy-1,1-dimethyl-5-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hexyl] acetate","Alias": "acetic acid [(4R,5R)-4,5-dihydroxy-1,1-dimethyl-5-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-6-keto-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hexyl] ester; acetic acid [(4R,5R)-4,5-dihydroxy-1,1-dimethyl-5-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hexyl] ester; [(5R,6R)-5,6-dihydroxy-2-methyl-6-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-2-yl] ethanoate; [(5R,6R)-5,6-dihydroxy-2-methyl-6-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate","Ingredient_formula": "C29H46O8","Ingredient_Smile": "NA","Ingredient_weight": "522.67","OB_score": "11.09174815","CAS_id": "22033-96-1","SymMap_id": "SMIT09285","TCMID_id": "NA","TCMSP_id": "MOL007941","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}