Exact Mass: 578.3457758
Exact Mass Matches: 578.3457758
Found 500 metabolites which its exact mass value is equals to given mass value 578.3457758,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Asparagoside A
Melongoside A is found in fruits. Melongoside A is a constituent of aubergine (Solanum melongena).
Oscillatoxin A
Anhydroamarouciaxanthin B
Anhydroamarouciaxanthin B is found in blue mussel. Anhydroamarouciaxanthin B is a constituent of Mytilus edulis (blue mussel). Constituent of Mytilus edulis (blue mussel). Anhydroamarouciaxanthin B is found in blue mussel and mollusks.
PA(10:0/17:0)
PA(10:0/17:0) 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(10:0/17:0), in particular, consists of one chain of capric acid at the C-1 position and one chain of margaric 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(8:0/19:0)
PA(8:0/19:0) 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(8:0/19:0), in particular, consists of one chain of caprylic acid at the C-1 position and one chain of nonadecylic 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-17:0)
PA(10:0/a-17:0) 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-17:0), in particular, consists of one chain of capric acid at the C-1 position and one chain of anteisoheptadecanoic 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-17:0)
PA(10:0/i-17:0) 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-17:0), in particular, consists of one chain of capric acid at the C-1 position and one chain of isoheptadecanoic 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-19:0)
PA(8:0/i-19:0) 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-19:0), in particular, consists of one chain of caprylic acid at the C-1 position and one chain of isononadecanoic 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(a-13:0/i-14:0)
PA(a-13:0/i-14:0) 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(a-13:0/i-14:0), in particular, consists of one chain of anteisotridecanoic acid at the C-1 position and one chain of isotetradecanoic 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(i-12:0/a-15:0)
PA(i-12:0/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(i-12:0/a-15:0), in particular, consists of one chain of isododecanoic 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(i-12:0/i-15:0)
PA(i-12:0/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(i-12:0/i-15:0), in particular, consists of one chain of isododecanoic 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.
PA(i-13:0/i-14:0)
PA(i-13:0/i-14:0) 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(i-13:0/i-14:0), in particular, consists of one chain of isotridecanoic acid at the C-1 position and one chain of isotetradecanoic 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(i-14:0/a-13:0)
PA(i-14:0/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(i-14:0/a-13:0), in particular, consists of one chain of isotetradecanoic 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(i-14:0/i-13:0)
PA(i-14:0/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(i-14:0/i-13:0), in particular, consists of one chain of isotetradecanoic 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.
Chenodeoxycholyltryptophan
Chenodeoxycholyltryptophan 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. Chenodeoxycholyltryptophan consists of the bile acid chenodeoxycholic acid conjugated to the amino acid Tryptophan 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 Chenodeoxycholyltryptophan, 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). Chenodeoxycholyltryptophan 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).
Deoxycholyltryptophan
Deoxycholyltryptophan 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. Deoxycholyltryptophan consists of the bile acid deoxycholic acid conjugated to the amino acid Tryptophan 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 Deoxycholyltryptophan, 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). Deoxycholyltryptophan 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).
DG(10:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)
DG(10:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(10:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/10:0/0:0)
DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/10:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/10:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(10:0/0:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
DG(10:0/0:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0/10:0)
DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0/10:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
Timosaponin A1
Timosaponin A1 is a natural product found in Anemarrhena asphodeloides with data available. Timosaponin A1 is a coprostane type steroidal saponin isolated from Rhizoma Anemarrhenae. Timosaponin A1 is a coprostane type steroidal saponin isolated from Rhizoma Anemarrhenae.
3alpha-Angeloyloxy-18beta-glucopyranosyloxy-ent-labd-8(17),13-dien-15,16-olide
Macrolactin P
7-hydroxy-23,24-dihydrocucurbitacin F 25-O-acetate|Hemslecin G
(22S)-cholesta-5,24-diene-3beta,11alpha,16beta,22-tetrol 16-O-alpha-L-rhamnopyranoside|(22S)-Cholesta-5,24-diene-3??,11??,16??,22-tetrol 16-O-??-L-rhamnopyranoside
16beta-Acetoxy-14-hydroxy-3beta-alpha-L-rhamnopyranosyloxy-5beta,14beta-card-20(22)-enolid|16beta-acetoxy-14-hydroxy-3beta-alpha-L-rhamnopyranosyloxy-5beta,14beta-card-20(22)-enolide
6alpha-O-beta-D-quinovopyranosyl-(25R)-5alpha-spirostan-3beta-ol|6alpha-O-beta-quinovopyranosyl-(25R)-5alpha-spirostan-3beta-ol|saponin Sc-4|SC-4
cholestane-1beta,3beta,5alpha,6beta-tetraol 1,3,6-triacetate
(7S,8R,8R,4S,5S,7S,10S)-9-O-(11-hydroxyeudesman-4-yl)-dihydrosesamin
16-O-acetyl-hydroxyperiplogenin 3-O-beta-D-digitoxopyranoside
(25S)-3beta-hydroxy-5alpha-spirostan-6alpha-yl-O-beta-D-xylopyranoside
8alpha,9alpha-Epoxide,10beta-hydroxy,25-Me ether-Antibiotic FD 892|FD-891
Tyr Gln Ile Arg
C26H42N8O7 (578.3176301999999)
C32H50O9_beta-D-Xylopyranoside, 3,17-dihydroxyspirost-5-en-1-yl
putative tryptophane conjugated chenodeoxycholic acid
putative tryptophane conjugated chenodeoxycholic acid (clustered spectrum)
Ala Phe Arg Trp
Ala Phe Trp Arg
Ala Arg Phe Trp
Ala Arg Trp Phe
Ala Trp Phe Arg
Ala Trp Arg Phe
Glu Phe Lys Arg
C26H42N8O7 (578.3176301999999)
Glu Phe Arg Lys
C26H42N8O7 (578.3176301999999)
Glu Lys Phe Arg
C26H42N8O7 (578.3176301999999)
Glu Lys Arg Phe
C26H42N8O7 (578.3176301999999)
Glu Arg Phe Lys
C26H42N8O7 (578.3176301999999)
Glu Arg Lys Phe
C26H42N8O7 (578.3176301999999)
Phe Ala Arg Trp
Phe Ala Trp Arg
Phe Glu Lys Arg
C26H42N8O7 (578.3176301999999)
Phe Glu Arg Lys
C26H42N8O7 (578.3176301999999)
Phe Lys Glu Arg
C26H42N8O7 (578.3176301999999)
Phe Lys Arg Glu
C26H42N8O7 (578.3176301999999)
Phe Lys Val Trp
Phe Lys Trp Val
Phe Arg Ala Trp
Phe Arg Glu Lys
C26H42N8O7 (578.3176301999999)
Phe Arg Lys Glu
C26H42N8O7 (578.3176301999999)
Phe Arg Arg Thr
C25H42N10O6 (578.3288632000001)
Phe Arg Thr Arg
C25H42N10O6 (578.3288632000001)
Phe Arg Trp Ala
Phe Thr Arg Arg
C25H42N10O6 (578.3288632000001)
Phe Val Lys Trp
Phe Val Trp Lys
Phe Trp Ala Arg
Phe Trp Lys Val
Phe Trp Arg Ala
Phe Trp Val Lys
Ile Lys Arg Tyr
C27H46N8O6 (578.3540135999999)
Ile Lys Tyr Arg
C27H46N8O6 (578.3540135999999)
Ile Gln Arg Tyr
C26H42N8O7 (578.3176301999999)
Ile Gln Tyr Arg
C26H42N8O7 (578.3176301999999)
Ile Arg Lys Tyr
C27H46N8O6 (578.3540135999999)
Ile Arg Gln Tyr
C26H42N8O7 (578.3176301999999)
Ile Arg Tyr Lys
C27H46N8O6 (578.3540135999999)
Ile Arg Tyr Gln
C26H42N8O7 (578.3176301999999)
Ile Tyr Lys Arg
C27H46N8O6 (578.3540135999999)
Ile Tyr Gln Arg
C26H42N8O7 (578.3176301999999)
Ile Tyr Arg Lys
C27H46N8O6 (578.3540135999999)
Ile Tyr Arg Gln
C26H42N8O7 (578.3176301999999)
Lys Glu Phe Arg
C26H42N8O7 (578.3176301999999)
Lys Glu Arg Phe
C26H42N8O7 (578.3176301999999)
Lys Phe Glu Arg
C26H42N8O7 (578.3176301999999)
Lys Phe Arg Glu
C26H42N8O7 (578.3176301999999)
Lys Phe Val Trp
Lys Phe Trp Val
Lys Ile Arg Tyr
C27H46N8O6 (578.3540135999999)
Lys Ile Tyr Arg
C27H46N8O6 (578.3540135999999)
Lys Leu Arg Tyr
C27H46N8O6 (578.3540135999999)
Lys Leu Tyr Arg
C27H46N8O6 (578.3540135999999)
Lys Arg Glu Phe
C26H42N8O7 (578.3176301999999)
Lys Arg Phe Glu
C26H42N8O7 (578.3176301999999)
Lys Arg Ile Tyr
C27H46N8O6 (578.3540135999999)
Lys Arg Leu Tyr
C27H46N8O6 (578.3540135999999)
Lys Arg Tyr Ile
C27H46N8O6 (578.3540135999999)
Lys Arg Tyr Leu
C27H46N8O6 (578.3540135999999)
Lys Val Phe Trp
Lys Val Trp Phe
Lys Trp Phe Val
Lys Trp Val Phe
Lys Tyr Ile Arg
C27H46N8O6 (578.3540135999999)
Lys Tyr Leu Arg
C27H46N8O6 (578.3540135999999)
Lys Tyr Arg Ile
C27H46N8O6 (578.3540135999999)
Lys Tyr Arg Leu
C27H46N8O6 (578.3540135999999)
Leu Lys Arg Tyr
C27H46N8O6 (578.3540135999999)
Leu Lys Tyr Arg
C27H46N8O6 (578.3540135999999)
Leu Gln Arg Tyr
C26H42N8O7 (578.3176301999999)
Leu Gln Tyr Arg
C26H42N8O7 (578.3176301999999)
Leu Arg Lys Tyr
C27H46N8O6 (578.3540135999999)
Leu Arg Gln Tyr
C26H42N8O7 (578.3176301999999)
Leu Arg Tyr Lys
C27H46N8O6 (578.3540135999999)
Leu Arg Tyr Gln
C26H42N8O7 (578.3176301999999)
Leu Tyr Lys Arg
C27H46N8O6 (578.3540135999999)
Leu Tyr Gln Arg
C26H42N8O7 (578.3176301999999)
Leu Tyr Arg Lys
C27H46N8O6 (578.3540135999999)
Leu Tyr Arg Gln
C26H42N8O7 (578.3176301999999)
Gln Ile Arg Tyr
C26H42N8O7 (578.3176301999999)
Gln Ile Tyr Arg
C26H42N8O7 (578.3176301999999)
Gln Leu Arg Tyr
C26H42N8O7 (578.3176301999999)
Gln Leu Tyr Arg
C26H42N8O7 (578.3176301999999)
Gln Arg Ile Tyr
C26H42N8O7 (578.3176301999999)
Gln Arg Leu Tyr
C26H42N8O7 (578.3176301999999)
Gln Arg Tyr Ile
C26H42N8O7 (578.3176301999999)
Gln Arg Tyr Leu
C26H42N8O7 (578.3176301999999)
Gln Tyr Ile Arg
C26H42N8O7 (578.3176301999999)
Gln Tyr Leu Arg
C26H42N8O7 (578.3176301999999)
Gln Tyr Arg Ile
C26H42N8O7 (578.3176301999999)
Gln Tyr Arg Leu
C26H42N8O7 (578.3176301999999)
Arg Ala Phe Trp
Arg Ala Trp Phe
Arg Glu Phe Lys
C26H42N8O7 (578.3176301999999)
Arg Glu Lys Phe
C26H42N8O7 (578.3176301999999)
Arg Phe Ala Trp
Arg Phe Glu Lys
C26H42N8O7 (578.3176301999999)
Arg Phe Lys Glu
C26H42N8O7 (578.3176301999999)
Arg Phe Arg Thr
C25H42N10O6 (578.3288632000001)
Arg Phe Thr Arg
C25H42N10O6 (578.3288632000001)
Arg Phe Trp Ala
Arg Ile Lys Tyr
C27H46N8O6 (578.3540135999999)
Arg Ile Gln Tyr
C26H42N8O7 (578.3176301999999)
Arg Ile Tyr Lys
C27H46N8O6 (578.3540135999999)
Arg Ile Tyr Gln
C26H42N8O7 (578.3176301999999)
Arg Lys Glu Phe
C26H42N8O7 (578.3176301999999)
Arg Lys Phe Glu
C26H42N8O7 (578.3176301999999)
Arg Lys Ile Tyr
C27H46N8O6 (578.3540135999999)
Arg Lys Leu Tyr
C27H46N8O6 (578.3540135999999)
Arg Lys Tyr Ile
C27H46N8O6 (578.3540135999999)
Arg Lys Tyr Leu
C27H46N8O6 (578.3540135999999)
Arg Leu Lys Tyr
C27H46N8O6 (578.3540135999999)
Arg Leu Gln Tyr
C26H42N8O7 (578.3176301999999)
Arg Leu Tyr Lys
C27H46N8O6 (578.3540135999999)
Arg Leu Tyr Gln
C26H42N8O7 (578.3176301999999)
Arg Gln Ile Tyr
C26H42N8O7 (578.3176301999999)
Arg Gln Leu Tyr
C26H42N8O7 (578.3176301999999)
Arg Gln Tyr Ile
C26H42N8O7 (578.3176301999999)
Arg Gln Tyr Leu
C26H42N8O7 (578.3176301999999)
Arg Arg Phe Thr
C25H42N10O6 (578.3288632000001)
Arg Arg Thr Phe
C25H42N10O6 (578.3288632000001)
Arg Thr Phe Arg
C25H42N10O6 (578.3288632000001)
Arg Thr Arg Phe
C25H42N10O6 (578.3288632000001)
Arg Trp Ala Phe
Arg Trp Phe Ala
Arg Tyr Ile Lys
C27H46N8O6 (578.3540135999999)
Arg Tyr Ile Gln
C26H42N8O7 (578.3176301999999)
Arg Tyr Lys Ile
C27H46N8O6 (578.3540135999999)
Arg Tyr Lys Leu
C27H46N8O6 (578.3540135999999)
Arg Tyr Leu Lys
C27H46N8O6 (578.3540135999999)
Arg Tyr Leu Gln
C26H42N8O7 (578.3176301999999)
Arg Tyr Gln Ile
C26H42N8O7 (578.3176301999999)
Arg Tyr Gln Leu
C26H42N8O7 (578.3176301999999)
Thr Phe Arg Arg
C25H42N10O6 (578.3288632000001)
Thr Arg Phe Arg
C25H42N10O6 (578.3288632000001)
Thr Arg Arg Phe
C25H42N10O6 (578.3288632000001)
Val Phe Lys Trp
Val Phe Trp Lys
Val Lys Phe Trp
Val Lys Trp Phe
Val Trp Phe Lys
Val Trp Lys Phe
Trp Phe Lys Val
Trp Phe Val Lys
Trp Lys Phe Val
Trp Lys Val Phe
Trp Val Phe Lys
Trp Val Lys Phe
Tyr Ile Lys Arg
C27H46N8O6 (578.3540135999999)
Tyr Ile Gln Arg
C26H42N8O7 (578.3176301999999)
Tyr Ile Arg Lys
C27H46N8O6 (578.3540135999999)
Tyr Ile Arg Gln
C26H42N8O7 (578.3176301999999)
Tyr Lys Ile Arg
C27H46N8O6 (578.3540135999999)
Tyr Lys Leu Arg
C27H46N8O6 (578.3540135999999)
Tyr Lys Arg Ile
C27H46N8O6 (578.3540135999999)
Tyr Lys Arg Leu
C27H46N8O6 (578.3540135999999)
Tyr Leu Lys Arg
C27H46N8O6 (578.3540135999999)
Tyr Leu Gln Arg
C26H42N8O7 (578.3176301999999)
Tyr Leu Arg Lys
C27H46N8O6 (578.3540135999999)
Tyr Leu Arg Gln
C26H42N8O7 (578.3176301999999)
Tyr Gln Leu Arg
C26H42N8O7 (578.3176301999999)
Tyr Gln Arg Ile
C26H42N8O7 (578.3176301999999)
Tyr Gln Arg Leu
C26H42N8O7 (578.3176301999999)
Tyr Arg Ile Lys
C27H46N8O6 (578.3540135999999)
Tyr Arg Ile Gln
C26H42N8O7 (578.3176301999999)
Tyr Arg Lys Ile
C27H46N8O6 (578.3540135999999)
Tyr Arg Lys Leu
C27H46N8O6 (578.3540135999999)
Tyr Arg Leu Lys
C27H46N8O6 (578.3540135999999)
Tyr Arg Leu Gln
C26H42N8O7 (578.3176301999999)
Tyr Arg Gln Ile
C26H42N8O7 (578.3176301999999)
Tyr Arg Gln Leu
C26H42N8O7 (578.3176301999999)
1,25-Dihydroxyvitamin D3 3-glycoside
Pandaroside D
Asparagoside A
Isolated from rhizomes of Mexican sarsaparilla (Smilax aristolochiaefolia) and from asparagus (Asparagus officinalis) root. Asparagoside A is found in asparagus, herbs and spices, and green vegetables.
Anhydroamarouciaxanthin B
Cyathsterone A
Cyathsterone B
(25S)-5beta-spirostan-3beta-yl beta-D-glucoside
3beta,15alpha,16alpha,24alpha-tetrahydroxy25,26,27-trinor-16,24-cyclo-cycloartane-23-one-3-O-beta-D-xylopyranoside
1,1-DIBUTYL-3,3,3,3-TETRAMETHYL-INDADICARBOCYANINE PERCHLORATE
Melongoside A
Constituent of aubergine (Solanum melongena). Melongoside A is found in fruits and eggplant.
2-[[(2R)-3-acetyloxy-2-[8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[(2R)-2-acetyloxy-3-[8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[(2R)-3-acetyloxy-2-[(Z)-11-(3-pentyloxiran-2-yl)undec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[(2R)-2-acetyloxy-3-[(Z)-11-(3-pentyloxiran-2-yl)undec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
sodium globostellatate B
An organic sodium salt that is the monosodium salt of globostellatic acid B. Isolated from the marine sponge Stelletta globostellata, it exhibits cytotoxicity against P-388 murine leukemia cells.
sodium globostellatate C
An organic sodium salt that is the monosodium salt of globostellatic acid C. Isolated from the marine sponge Stelletta globostellata, it exhibits cytotoxicity against P-388 murine leukemia cells.
buxalongifolamidine
A natural product found in Buxus natalensis and Buxus longifolia.
(1S,3R,4S,9R,13S,14R)-13-hydroxy-9-(hydroxymethyl)-3-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione
4-(dimethylamino)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
4-(dimethylamino)-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
4-(dimethylamino)-N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
4-(dimethylamino)-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
4-(dimethylamino)-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-(5-oxopentanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2,3-dihydroxypropyl [2-hydroxy-3-[(13Z,16Z)-tetracosa-13,16-dienoxy]propyl] hydrogen phosphate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (9Z,12Z)-nonadeca-9,12-dienoate
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
[1-[(2-hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate
(1-Heptanoyloxy-3-phosphonooxypropan-2-yl) icosanoate
(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) docosanoate
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) tricosanoate
(1-Nonanoyloxy-3-phosphonooxypropan-2-yl) octadecanoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate
(1-Acetyloxy-3-phosphonooxypropan-2-yl) pentacosanoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (9Z,12Z)-nonadeca-9,12-dienoate
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) tetracosanoate
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
(1-Hexanoyloxy-3-phosphonooxypropan-2-yl) henicosanoate
[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
(1-Octanoyloxy-3-phosphonooxypropan-2-yl) nonadecanoate
(1-Dodecanoyloxy-3-phosphonooxypropan-2-yl) pentadecanoate
(1-Phosphonooxy-3-tridecanoyloxypropan-2-yl) tetradecanoate
(1-Phosphonooxy-3-undecanoyloxypropan-2-yl) hexadecanoate
(1-Decanoyloxy-3-phosphonooxypropan-2-yl) heptadecanoate
[(2R)-3-phosphonooxy-2-undecanoyloxypropyl] hexadecanoate
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] heptadecanoate
[(2R)-1-phosphonooxy-3-undecanoyloxypropan-2-yl] hexadecanoate
[1-[(3E,6E,9E)-dodeca-3,6,9-trienoyl]oxy-3-phosphonooxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
[1-[(6E,9E)-dodeca-6,9-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
2-[[3-butanoyloxy-2-[(Z)-heptadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-hexanoyloxy-2-[(Z)-pentadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[2-[(Z)-hexadec-9-enoyl]oxy-3-pentanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-acetyloxy-2-[(Z)-nonadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[3-octanoyloxy-2-[(Z)-tridec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[3-heptanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[2-[(Z)-octadec-9-enoyl]oxy-3-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
(17z,19z,21z,23z,25z)-4,6,10,12,14,16-hexahydroxy-28-isopropyl-3,15,27-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(1'r,2r,2's,4's,5s,7's,8'r,9's,12's,13's,16's,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy]oxane-3,4,5-triol
2-[(2s,4as,8s,8as)-8-{[(2s,3r,4r)-2-(2h-1,3-benzodioxol-5-yl)-4-(2h-1,3-benzodioxol-5-ylmethyl)oxolan-3-yl]methoxy}-4a,8-dimethyl-octahydronaphthalen-2-yl]propan-2-ol
(2s,3r,4s,5r)-2-{[(1s,4r,5r,6r,8r,10s,12s,13s,15s,16r,18s,21r)-8-ethoxy-15-hydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan-18-yl]oxy}oxane-3,4,5-triol
4,6,10,12,14,16-hexahydroxy-28-isopropyl-3,15,27-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(4ar,5s,6r,8ar)-5-{2-[1-(4-{[(2e)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]amino}butyl)-5-oxo-2h-pyrrol-3-yl]ethyl}-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
(3s,4r,6r,10s,12s,14s,15s,16s,17e,19e,21e,23e,25e,27r,28s)-4,6,10,12,14,16-hexahydroxy-28-isopropyl-3,15,27-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
(1s,2s,3s,4r,5r,6r)-2,3,4,5-tetrahydroxy-6-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}cyclohexyl (9s)-9-methylheptadecanoate
(17e,19e)-21-ethyl-9,11,16-trihydroxy-13-methoxy-10,12,16,18,24-pentamethyl-2,22,26-trioxatricyclo[19.3.1.1⁵,⁸]hexacosa-5,17,19-triene-3,7,23-trione
methyl (1r,2r,4ar,4br,5s,6as,9r,10r,10as,10br,12ar)-5,10-dihydroxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-1-(2-methoxy-2-oxoethyl)-1,4a,4b,9,10-pentamethyl-dodecahydro-2h-chrysene-6a-carboxylate
(1s,3r,4s,5s,9r,13s,14r)-13-hydroxy-9-(hydroxymethyl)-3-[(2s,5s)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione
(1ar,2r,3s,3as,5r,6r,7ar,7bs)-2-[(2e)-but-2-en-2-yl]-6-hydroxy-1a,6-dimethyl-3-[(1e,3e)-4-[(4s,5s)-2,2,5-trimethyl-1,3-dioxan-4-yl]penta-1,3-dien-1-yl]-octahydronaphtho[1,2-b]oxiren-5-yl 2-phenylacetate
(25S)-5β-sprostane-3β-ol-3-O-β-D-glucopyranoside
{"Ingredient_id": "HBIN004790","Ingredient_name": "(25S)-5\u03b2-sprostane-3\u03b2-ol-3-O-\u03b2-D-glucopyranoside","Alias": "NA","Ingredient_formula": "C33H54O8","Ingredient_Smile": "CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)OC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38986","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}