Exact Mass: 552.2155
Exact Mass Matches: 552.2155
Found 196 metabolites which its exact mass value is equals to given mass value 552.2155
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
1-[3-(3-Chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(1-piperidyl)piperidine-4-carboxamide
Chenodeoxycholic acid disulfate
Chenodeoxycholic acid disulfate is a bile acid derviative. A bile acid. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). A bile acid derviative. A bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12.
Prupaside
Prupaside is found in fruits. Prupaside is isolated from Prunus padus (bird cherry). Isolated from Prunus padus (bird cherry). Prupaside is found in fruits.
Deoxycholic acid disulfate
Deoxycholic acid disulfate is a substrate for Proteinase activated receptor 2, Heterogeneous nuclear ribonucleoprotein H, Small inducible cytokine A24 and Hemoglobin alpha chain. [HMDB] Deoxycholic acid disulfate is a substrate for Proteinase activated receptor 2, Heterogeneous nuclear ribonucleoprotein H, Small inducible cytokine A24 and Hemoglobin alpha chain.
(4S)-3-{{{6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxoprop-2-en-1-yl]-beta-D-glucopyranosyl}oxy}methyl}-4-(hydroxymethyl)-5,5-dimethylcyclohex-2-en-1-one|6-O-trans-sinapoyljasminoside B
(4R)-4-{{6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxoprop-2-en-1-yl]-beta-D-glucopyranosyl}oxy}-2,6,6-trimethylcyclohex-1-ene-1-carboxylic acid|6-O-trans-sinapoyljasminoside L
(+)-5-methoxy-isolariciresinol-3alpha-O-beta-D-glucopyranoside|(+)-5-methoxyisolariciresinol 9-O-beta-D-glucopyranoside
4-[(erythro) 2,3-dihydro-3(hydroxymethyl)-5-(3-hydropropyl)-7-methoxy-2-benzofuranyl]-2,6-dimethoxyphenyl-beta-D-glucopyranoside|rel-(7R,8S)-3,3,5-trimethoxy-4,7-epoxy-8,5-neolignan-4,9,9-triol 4-beta-D-glucopyranoside|rel-4-[(2S,3R)-2,3-dihydro-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxybenzofuran-2-yl]-2,6-dimethoxyphenyl beta-D-glucopyranoside
2-[3-methoxy,4-(O-beta-D-galactopyranos-1-yl)benzyl]-3-(3,4dimethoxybenzyl)-4-hydroxybutyric acid|aconiside
(+)-5-methoxyisolariciresinol 3a-O-beta-glucopyranoside
(2S,4aR,6aR,9R,10aR,10bS)-2-(3-furanyl)-9-(beta-D-glucopyranosyloxy)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-4a-hydroxyl-6a,10b-dimethyl-4-oxo-2H-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester|tinospinoside C
5-methoxy-(+)-isolariciresinol-4-O-beta-D-glucopyranoside
[4-[5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-oxo-4-phenylchromen-6-yl]-2-methyl-4-oxobutyl] 3-phenylprop-2-enoate
2beta-[3,5-dimethoxy-4-O-(beta-D-glucopyranosyl)phenyl]-3alpha-hydroxymethyl-4alpha-[(4-hydroxy-3-methoxyphenyl)methyl]tetrahydrofuran|conicaoside
(3R,4R,5R,6S,8R,9S,10S,12S)-15,16-epoxy-3,4-epoxy-6-O-(beta-D-glucopyranosyl)-cleroda-3,13(16),14-trien-17,12-olid-18-oic acid methyl ester
1beta,5alpha,7alphaH-2alpha-Acetoxy-4alpha-O-beta-D-(2,6-O-diacetyl)glucopyranosylguaia-10(14),11(13)dien-8beta,12-olide|1beta,5alpha,7alphaH-2alpha-Acetoxy-4alpha-O-beta-D-<2,6-O-diacetyl>glucopyranosylguaia-10(14),11(13)dien-8beta,12-olide
(+)-(7S,8R,8S)-4,4,9-trihydroxy-3,3,5-trimethoxy-2,7-lignan 9-O-beta-D-glucopyranoside|(6R,7R,8S)-7a-[(beta-D-glucopyranosyl)oxy]-1-methoxyisolariciresinol|[(1S,2S,3R)-1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxynaphthalen-2-yl]methyl beta-D-glucopyranoside
rel-(7R,8S)-3,3,5-trimethoxy-4,7-epoxy-8,5-neolignan-4,9,9-triol 9-beta-D-glucopyranoside|rel-[(2R,3S)-2,3-dihydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-hydroxypropyl)-7-methoxybenzofuran-3-yl]methyl beta-D-glucopyranoside
Tyr Gln Asn Glu
Asn Gln Tyr Glu
C27H36O12_1-Cyclohexene-1-carboxylic acid, 4-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-2,6,6-trimethyl
2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol
2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol_major
(4R)-4-((3R,5S,7R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Cys Phe Phe His
Cys Phe His Phe
Cys His Phe Phe
Asp Gln Gln Tyr
Asp Gln Tyr Gln
Asp Tyr Gln Gln
Glu Glu Glu Phe
Glu Glu Phe Glu
Glu Phe Glu Glu
Glu His His Met
Glu His Met His
Glu Met His His
Glu Asn Gln Tyr
Glu Asn Tyr Gln
Glu Gln Asn Tyr
Glu Gln Tyr Asn
Glu Tyr Asn Gln
Glu Tyr Gln Asn
Phe Cys Phe His
Phe Cys His Phe
Phe Glu Glu Glu
Phe Phe Cys His
Phe Phe His Cys
Phe His Cys Phe
Phe His Phe Cys
His Cys Phe Phe
His Glu His Met
His Glu Met His
His Phe Cys Phe
His Phe Phe Cys
His His Glu Met
His His Met Glu
His Met Glu His
His Met His Glu
Met Glu His His
Met His Glu His
Met His His Glu
Asn Glu Gln Tyr
Asn Glu Tyr Gln
Asn Gln Glu Tyr
Asn Tyr Glu Gln
Asn Tyr Gln Glu
Gln Asp Gln Tyr
Gln Asp Tyr Gln
Gln Glu Asn Tyr
Gln Glu Tyr Asn
Gln Asn Glu Tyr
Gln Asn Tyr Glu
Gln Gln Asp Tyr
Gln Gln Tyr Asp
Gln Tyr Asp Gln
Gln Tyr Glu Asn
Gln Tyr Asn Glu
Gln Tyr Gln Asp
Tyr Asp Gln Gln
Tyr Glu Asn Gln
Tyr Glu Gln Asn
Tyr Asn Glu Gln
Tyr Asn Gln Glu
Tyr Gln Asp Gln
Tyr Gln Glu Asn
Tyr Gln Gln Asp
CHLORODIHYDRIDO[BIS(2-DI-I-PROPYLPHOSPHINOETHYL)AMINE]IRIDIUM(III)
[[(1S)-1α-(3,5-Dimethoxy-4-hydroxyphenyl)-3α-(hydroxymethyl)-6,8-dimethoxy-7-hydroxytetralin-2β-yl]methyl]β-D-xylopyranoside
N-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
N-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
N-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
N-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
N-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
N-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
N-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
N-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
(2r,3r,4s,5s,6r)-2-{[(2s,3s,4r)-6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (1s,2r,5r,7s,8s,9r)-8-[2-(furan-3-yl)-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]-5-hydroxy-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.0²,⁷]dodec-3-ene-3-carboxylate
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{4-[(2r,3s)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy}oxane-3,4,5-triol
(2r,3r,4s,5r)-2-{[(2s,3r,4r)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-3-yl]methoxy}oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{4-[(1r,2r)-1-hydroxy-2-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}propyl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(1s,2s,3r)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(3ar,4r,6ar,8s,9ar,9br)-3,6,9-trimethylidene-2-oxo-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[4,5-b]furan-4-yl (2r)-2-ethyl-2-hydroxy-3-oxobutanoate
(3,4,5-trihydroxy-6-{[6-(hydroxymethyl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl]methoxy}oxan-2-yl)methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
3,6,9-trimethylidene-2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[4,5-b]furan-4-yl 2-ethyl-2-hydroxy-3-oxobutanoate
methyl (1s,2r,5r,7s,8s,9r)-8-[(2s)-2-(furan-3-yl)-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]-5-hydroxy-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.0²,⁷]dodec-3-ene-3-carboxylate
(2s,3r,4r,5s)-2-{[(1r,2s,3s)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-5-(hydroxymethyl)oxolane-3,4-diol
4-[5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2-oxo-4-phenylchromen-6-yl]-2-methyl-4-oxobutyl 3-phenylprop-2-enoate
2-(4-{4-[(3,4-dimethoxyphenyl)(hydroxy)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
3-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]butanoic acid
2-{[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
[5-(acetyloxy)-6-{[7-(acetyloxy)-5-methyl-3,8-dimethylidene-2-oxo-octahydroazuleno[6,5-b]furan-5-yl]oxy}-3,4-dihydroxyoxan-2-yl]methyl acetate
(2s,3r,4s,5s,6r)-2-(4-{[(3s,4s,5r)-5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl}-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
5alpha-decinnamoyltaxagifine
{"Ingredient_id": "HBIN011418","Ingredient_name": "5alpha-decinnamoyltaxagifine","Alias": "5\u03b1-decinnamoyltaxagifine","Ingredient_formula": "C27H36O12","Ingredient_Smile": "CC(=O)OC1CC(C(=C)C2C1C(C(C3(C4(COC3(C(=O)CC4C2OC(=O)C)C)C)O)OC(=O)C)OC(=O)C)O","Ingredient_weight": "552.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25956;4852","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "132529426","DrugBank_id": "NA"}