Exact Mass: 550.3406546
Exact Mass Matches: 550.3406546
Found 433 metabolites which its exact mass value is equals to given mass value 550.3406546
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Hordatine A
A member of the calss of benzofurans that is a homodimer of para-coumarylagmatine where a hydroxy group of one molecule has reacted across the other molecules ethene double bond to combine the two molecules and form a furan ring.
PA(8:0/17:0)
PA(8:0/17:0) 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(8:0/17:0), in particular, consists of one chain of caprylic 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(10:0/a-15:0)
PA(10:0/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(10:0/a-15:0), in particular, consists of one chain of capric 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(10:0/i-15:0)
PA(10:0/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(10:0/i-15:0), in particular, consists of one chain of capric 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(8:0/a-17:0)
PA(8:0/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(8:0/a-17:0), in particular, consists of one chain of caprylic 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(8:0/i-17:0)
PA(8:0/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(8:0/i-17:0), in particular, consists of one chain of caprylic 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(a-13:0/i-12:0)
PA(a-13:0/i-12:0) 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-12:0), in particular, consists of one chain of anteisotridecanoic acid at the C-1 position and one chain of isododecanoic 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-13:0)
PA(i-12:0/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-12:0/a-13:0), in particular, consists of one chain of isododecanoic 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-12:0/i-13:0)
PA(i-12:0/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-12:0/i-13:0), in particular, consists of one chain of isododecanoic 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(i-13:0/i-12:0)
PA(i-13:0/i-12:0) 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-12:0), in particular, consists of one chain of isotridecanoic acid at the C-1 position and one chain of isododecanoic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.
DG(8:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)
DG(8:0/20:5(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(8:0/20:5(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)/8:0/0:0)
DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/8:0/0:0) 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)/8:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(8:0/0:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
DG(8:0/0:0/20:5(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)/0:0/8:0)
DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0/8:0) 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.
3alpha-Angeloyloxy-2beta,15-dihydroxy-ent-labda-7,13E-dien-2-O-beta-fucopyranoside
3-[5,14-dihydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
5beta-acetoxy-4beta,8-diangeloyloxy-2beta,3beta-epoxy-10-hydroxy-11-isopropoxy-bisabol-7(14)-ene
digitoxigenin-3-O-beta-D-(3-O-methyl)glucopyranoside
(+)-20S-2alpha-hydroxy-20-(dimethylamino)-3beta-phthalimido-5alpha-pregnan-4beta-yl acetate
N,N-dimethyl-L-isoleucine (4S)-7t-((R)-hydroxy-phenyl-methyl)-3t-isopropyl-5,8-dioxo-2-oxa-6,9-diaza-1(1,4)-benzena-cycloundecaphan-10c-en-4r-ylamide|Scutianin H|scutianine-H
3-O-[beta-D-arabinopyranosyl-oxy]-cholest-5-ene-3beta,19,25-triol|junceelloside D
3-[(6-deoxy-3-O-methylhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide
(20R)-18,20-epoxy-digitoxigenin alpha-L-thevetoside|(20S)-18,20-epoxydigitoxigenin alpha-L-thevetoside
gorgostane-1alpha,3beta,5alpha,6beta,11alpha,12beta-hexol 12-acetate
17-benzoyloxy-3-O-(2,3-dimethylbutanoyl)-20-deoxyingenol
(24S)-24-methylcholestane-3beta,5alpha,6beta,25xi,26-pentol-25,26-diacetate
14,19-dihydroxy-3beta-(O3-methyl-6-deoxy-alpha-L-glucopyranosyloxy)-5beta,14beta-card-20(22)-enolide|14,19-Dihydroxy-3beta-(O3-methyl-6-desoxy-alpha-L-glucopyranosyloxy)-5beta,14beta-card-20(22)-enolid|Ruvoside
4-O-(nonadecanoyl)apigenin|4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl nonadecanoate|ziziphorin A
(24S)-ergostan-3beta,5alpha,6beta,18,25-pentaol 18,25-diacetate
(1R*,2R*,3E,7E,11R*,12S*)-2,18-O-diacetyl-16-O-(3-hydroxy-3-methylglutaryl)-dolabella-3,7-dien-2,16,18-triol
5-Ene-methyl-7,12-didehydroxy-cholate-3-O-??-D-glucopyranoside
Tyr Ile Lys Lys
Lys Glu Phe Lys
Phe Lys Glu Lys
Lys Phe Glu Lys
Phe Thr Arg Lys
C30H46O9_(3beta,5beta)-3-[(2,6-Dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide
Glu Phe Lys Lys
Glu Lys Phe Lys
Glu Lys Lys Phe
Phe Glu Lys Lys
Phe Lys Lys Glu
Phe Lys Arg Thr
Phe Lys Thr Arg
Phe Arg Lys Thr
Phe Arg Thr Lys
Phe Thr Lys Arg
Gly Arg Arg Tyr
C23H38N10O6 (550.2975647999999)
Gly Arg Tyr Arg
C23H38N10O6 (550.2975647999999)
Gly Tyr Arg Arg
C23H38N10O6 (550.2975647999999)
Ile Lys Lys Tyr
Ile Lys Gln Tyr
Ile Lys Tyr Lys
Ile Lys Tyr Gln
Ile Gln Lys Tyr
Ile Gln Tyr Lys
Ile Tyr Lys Lys
Ile Tyr Lys Gln
Ile Tyr Gln Lys
Lys Glu Lys Phe
Lys Phe Lys Glu
Lys Phe Arg Thr
Lys Phe Thr Arg
Lys Ile Lys Tyr
Lys Ile Gln Tyr
Lys Ile Tyr Lys
Lys Ile Tyr Gln
Lys Lys Glu Phe
Lys Lys Phe Glu
Lys Lys Ile Tyr
Lys Lys Leu Tyr
Lys Lys Tyr Ile
Lys Lys Tyr Leu
Lys Leu Lys Tyr
Lys Leu Gln Tyr
Lys Leu Tyr Lys
Lys Leu Tyr Gln
Lys Gln Ile Tyr
Lys Gln Leu Tyr
Lys Gln Tyr Ile
Lys Gln Tyr Leu
Lys Arg Phe Thr
Lys Arg Thr Phe
Lys Thr Phe Arg
Lys Thr Arg Phe
Lys Tyr Ile Lys
Lys Tyr Ile Gln
Lys Tyr Lys Ile
Lys Tyr Lys Leu
Lys Tyr Leu Lys
Lys Tyr Leu Gln
Lys Tyr Gln Ile
Lys Tyr Gln Leu
Leu Lys Lys Tyr
Leu Lys Gln Tyr
Leu Lys Tyr Lys
Leu Lys Tyr Gln
Leu Gln Lys Tyr
Leu Gln Tyr Lys
Leu Tyr Lys Lys
Leu Tyr Lys Gln
Leu Tyr Gln Lys
Gln Ile Lys Tyr
Gln Ile Tyr Lys
Gln Lys Ile Tyr
Gln Lys Leu Tyr
Gln Lys Tyr Ile
Gln Lys Tyr Leu
Gln Leu Lys Tyr
Gln Leu Tyr Lys
Gln Tyr Ile Lys
Gln Tyr Lys Ile
Gln Tyr Lys Leu
Gln Tyr Leu Lys
Arg Phe Lys Thr
Arg Phe Thr Lys
Arg Gly Arg Tyr
C23H38N10O6 (550.2975647999999)
Arg Gly Tyr Arg
C23H38N10O6 (550.2975647999999)
Arg Lys Phe Thr
Arg Lys Thr Phe
Arg Arg Gly Tyr
C23H38N10O6 (550.2975647999999)
Arg Arg Tyr Gly
C23H38N10O6 (550.2975647999999)
Arg Thr Phe Lys
Arg Thr Lys Phe
Arg Tyr Gly Arg
C23H38N10O6 (550.2975647999999)
Arg Tyr Arg Gly
C23H38N10O6 (550.2975647999999)
Thr Phe Lys Arg
Thr Phe Arg Lys
Thr Lys Phe Arg
Thr Lys Arg Phe
Thr Arg Phe Lys
Thr Arg Lys Phe
Tyr Gly Arg Arg
C23H38N10O6 (550.2975647999999)
Tyr Ile Lys Gln
Tyr Ile Gln Lys
Tyr Lys Ile Lys
Tyr Lys Ile Gln
Tyr Lys Lys Ile
Tyr Lys Lys Leu
Tyr Lys Leu Lys
Tyr Lys Leu Gln
Tyr Lys Gln Ile
Tyr Lys Gln Leu
Tyr Leu Lys Lys
Tyr Leu Lys Gln
Tyr Leu Gln Lys
Tyr Gln Ile Lys
Tyr Gln Lys Ile
Tyr Gln Lys Leu
Tyr Gln Leu Lys
Tyr Arg Gly Arg
C23H38N10O6 (550.2975647999999)
Tyr Arg Arg Gly
C23H38N10O6 (550.2975647999999)
glas#26
An ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#26 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans.
PHOHA-PA
C26H47O10P (550.2906691999999)
Cymarol
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins
Strospeside
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
3beta-(6-deoxy-3-O-methyl-alpha-L-talopyranosyloxy)-1beta,14-dihydroxy-5beta-card-20(22)-enolide
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
1-O-{(14R)-14-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]pentadecanoyl}-beta-D-glucopyranose
N-[4-(diaminomethylideneamino)butyl]-5-[(E)-3-[4-(diaminomethylideneamino)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
[(4S)-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-[[(2S,3S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-2-carboxy-3,6-dihydro-2H-pyran-3-yl]amino]-3-methyl-5-oxopentyl]-(diaminomethylidene)-methylazanium
2-[[(2R)-2-acetyloxy-3-[(Z)-octadec-9-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C28H57NO7P+ (550.3872441999999)
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-icos-11-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
C28H57NO7P+ (550.3872441999999)
2-[hydroxy-[2-hydroxy-3-[(E)-icos-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
C28H57NO7P+ (550.3872441999999)
3alpha-(beta-D-glucopyranuronosyloxy)-5beta-cholan-24-oate
1-[(7R)-7-(Acetyloxy)-4-hydroxy-4-oxo-3,5,9-trioxa-4lambda~5~-phosphapentacosan-1-yl]-1-methylpyrrolidin-1-ium
C28H57NO7P+ (550.3872441999999)
1-o-(cis-9-octadecenyl)-2-o-acetyl-sn-glycero-3-phosphocholine
C28H57NO7P+ (550.3872441999999)
1-cyclohexyl-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
C32H46N4O4 (550.3518875999999)
1-cyclohexyl-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
C32H46N4O4 (550.3518875999999)
1-cyclohexyl-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
C32H46N4O4 (550.3518875999999)
1-cyclohexyl-3-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
C32H46N4O4 (550.3518875999999)
1-cyclohexyl-3-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
C32H46N4O4 (550.3518875999999)
N-[(2R,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide
1-cyclohexyl-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
C32H46N4O4 (550.3518875999999)
1-cyclohexyl-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
C32H46N4O4 (550.3518875999999)
1-cyclohexyl-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
C32H46N4O4 (550.3518875999999)
2,3,7,7,12,13,17,18-Octaethyl-21H,23H-porphine-8-one
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
2-[[(2R)-2-[(E)-but-2-enoyl]oxy-3-hexadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C28H57NO7P+ (550.3872441999999)
2-[[(2R)-3-hexadecanoyloxy-2-prop-2-enoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-icos-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
C28H57NO7P+ (550.3872441999999)
2,3-dihydroxypropyl [3-[(13Z,16Z)-docosa-13,16-dienoxy]-2-hydroxypropyl] hydrogen phosphate
[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (11Z,14Z)-henicosa-11,14-dienoate
2-[[2-acetyloxy-3-[(Z)-octadec-9-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C28H57NO7P+ (550.3872441999999)
[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate
C26H47O10P (550.2906691999999)
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
C26H47O10P (550.2906691999999)
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
C26H47O10P (550.2906691999999)
(1-Nonanoyloxy-3-phosphonooxypropan-2-yl) hexadecanoate
(1-Heptanoyloxy-3-phosphonooxypropan-2-yl) octadecanoate
(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) icosanoate
[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate
C26H47O10P (550.2906691999999)
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
C26H47O10P (550.2906691999999)
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) henicosanoate
(1-Hexanoyloxy-3-phosphonooxypropan-2-yl) nonadecanoate
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) docosanoate
(1-Acetyloxy-3-phosphonooxypropan-2-yl) tricosanoate
(1-Octanoyloxy-3-phosphonooxypropan-2-yl) heptadecanoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
C26H47O10P (550.2906691999999)
(1-Phosphonooxy-3-undecanoyloxypropan-2-yl) tetradecanoate
(1-Dodecanoyloxy-3-phosphonooxypropan-2-yl) tridecanoate
(1-Decanoyloxy-3-phosphonooxypropan-2-yl) pentadecanoate
[(2R)-1-phosphonooxy-3-undecanoyloxypropan-2-yl] tetradecanoate
[(2R)-3-phosphonooxy-2-undecanoyloxypropyl] tetradecanoate
[O-[1-O-(1-Oxo-13-icocenyl)-L-glycero-3-phospho]choline]anion
C28H57NO7P+ (550.3872441999999)
[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-hydroxypropyl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
2-[hydroxy-[3-hydroxy-2-[(Z)-icos-4-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
C28H57NO7P+ (550.3872441999999)
[1-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-hydroxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] pentadecanoate
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] pentadecanoate
2-[hydroxy-[(2R)-2-hydroxy-3-[(E)-icos-11-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
C28H57NO7P+ (550.3872441999999)
2-[[3-hexanoyloxy-2-[(Z)-tridec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
[1-carboxy-3-[2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-pentanoyloxypropoxy]propyl]-trimethylazanium
2-[[2-[(Z)-hexadec-9-enoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[2-hexanoyloxy-3-[(Z)-tetradec-9-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C28H57NO7P+ (550.3872441999999)
2-[hydroxy-[3-pentanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[2-butanoyloxy-3-[(Z)-hexadec-9-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C28H57NO7P+ (550.3872441999999)
[1-carboxy-3-[2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-propanoyloxypropoxy]propyl]-trimethylazanium
2-[[3-butanoyloxy-2-[(Z)-pentadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[2-hydroxy-3-[(Z)-icos-11-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
C28H57NO7P+ (550.3872441999999)
2-[[3-acetyloxy-2-[(Z)-heptadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[2-heptanoyloxy-3-[(Z)-tridec-9-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C28H57NO7P+ (550.3872441999999)
2-[[3-[(Z)-heptadec-9-enoxy]-2-propanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C28H57NO7P+ (550.3872441999999)
2-[hydroxy-[3-[(Z)-pentadec-9-enoxy]-2-pentanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
C28H57NO7P+ (550.3872441999999)
[(2R)-2-(10-methylundecanoyloxy)-3-phosphonooxypropyl] 11-methyldodecanoate
1-(9Z-octadecenoyl)-2-glutaryl-sn-glycero-3-phosphate
C26H47O10P (550.2906691999999)
lithocholate 3-O-(beta-D-glucuronide)(2-)
A steroid glucuronide anion that is the conjugate base of lithocholic acid 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid functions; major species at pH 7.3.
(1r,3as,3bs,5s,5ar,7s,9s,9as,9bs,10s,11s,11ar)-5,5a,7,9,10-pentahydroxy-9a,11a-dimethyl-1-[(1r)-1-[(1r,2s)-2-methyl-2-[(2s)-3-methylbutan-2-yl]cyclopropyl]ethyl]-tetradecahydrocyclopenta[a]phenanthren-11-yl acetate
(3s)-5-{[(1r,3as,4s,12as)-4-(acetyloxy)-1-[2-(acetyloxy)propan-2-yl]-3a,10-dimethyl-1h,2h,3h,4h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-6-yl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acid
(1s,3as,3bs,5as,6r,7s,8r,9ar,9bs,11as)-1-[(1s)-1-(dimethylamino)ethyl]-7-(1,3-dioxoisoindol-2-yl)-8-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-6-yl acetate
(2e,16e,18e,20e,22e,24e)-2,10,14,19,23-pentamethyl-25-(2,6,6-trimethylcyclohex-1-en-1-yl)pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid
2,4-dimethyl-4-[2-(2,4,5-trihydroxy-3-methoxy-4-phenyl-3h-quinolin-6-yl)ethenyl]cyclohexyl 3-methyl-2-(methylamino)butanoate
(3r)-3-{[(2s,4r,5s)-5-[(1r,2s,3as,3br,5as,7s,9as,9bs,11as)-2,7-dihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-hydroxy-2,5-dimethyl-1,3-dioxolan-4-yl]methyl}-2-methylbutan-2-yl acetate
4-(7-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl)-5h-furan-2-one
(1r,2r,6r,7r,8r,9r,10s,12s)-6-[(2r)-1-(acetyloxy)propan-2-yl]-9,12-dihydroxy-9-methyl-3,13-dimethylidene-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-10-yl (2s)-2-(butanoyloxy)butanoate
2-{[(1-{2-[(3-amino-1,2-dihydroxydecylidene)amino]-3-hydroxypropanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-(4-hydroxyphenyl)propanoic acid
4,5-dihydroxy-4,10-dimethyl-9-[(2-methylbut-2-enoyl)oxy]-8-[(2-methylbutanoyl)oxy]-7-(prop-1-en-2-yl)-11-oxabicyclo[8.1.0]undecan-3-yl 2-methylbut-2-enoate
4-{7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a,5a-dihydroxy-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl}-5h-furan-2-one
5-(5-hydroxy-3-methylpent-3-en-1-yl)-1,1,4a,6-tetramethyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,3,4,5,8,8a-hexahydronaphthalen-2-yl 2-methylbut-2-enoate
5-ene-methyl-7,12-didehydroxy-cholate-3-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN011526","Ingredient_name": "5-ene-methyl-7,12-didehydroxy-cholate-3-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C31H50O8","Ingredient_Smile": "CC(CCC(=O)OC)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15241","TCMID_id": "6797","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-ene-methyl-cholate-3-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN011527","Ingredient_name": "5-ene-methyl-cholate-3-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C31H50O8","Ingredient_Smile": "CC(CCC(=O)OC)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30948","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9α,10β-diacetoxy-5α-cinnamoyloxytaxa-4(20),11-dien-13α-ol
{"Ingredient_id": "HBIN014037","Ingredient_name": "9\u03b1,10\u03b2-diacetoxy-5\u03b1-cinnamoyloxytaxa-4(20),11-dien-13\u03b1-ol","Alias": "NA","Ingredient_formula": "C33H42O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5288","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}