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LM_ID
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Common Name
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Systematic Name
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Species Shorthand
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Formula
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Mass
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LMST04010454
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3-keto-petromyzonol sulfate
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7alpha,12alpha,24-trihydroxy-5alpha-cholan-3-one-24-sulfate
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ST 24:1;O4;S
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C24H40O7S
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472.249477
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LMST04010455
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3,12-diketo-4,6-petromyzonene-24-sulfate
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3,12-Dioxochola-4,6-dien-24-sulfate
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ST 24:4;O3;S
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C24H34O6S
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450.207612
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LMST04010456
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deoxycholoyl-CoA
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3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
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C45H74N7O19P3S
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1141.397314
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LMST04010457
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3-oxo-cholyl-CoA
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[5-(6-aminopurin-9-yl)-2-[[[[4-[[3-[2-[4-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoylsulfanyl]ethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] phosphate
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C45H72N7O20P3S
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1155.376579
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LMST04030228
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3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl-CoA
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3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
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C48H80N7O21P3S
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1215.434094
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LMST04030229
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(24E)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-CoA
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3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(24E)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
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C48H78N7O20P3S
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1197.423529
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LMST04030230
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(24R,25R)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl-CoA
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3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(24R,25R)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
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C48H80N7O21P3S
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1215.434094
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LMST04030231
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(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA
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3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
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C48H80N7O20P3S
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1199.439179
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LMST04030232
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(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl-CoA
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3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
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C48H80N7O19P3S
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1183.444264
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LMST04030233
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(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl-CoA
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3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
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C48H80N7O20P3S
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1199.439179
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LMST04030234
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3 alpha,7 alpha,24-Trihydroxy-5beta-cholestanoyl-CoA
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{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-({6-[(2S,5R,7S,9R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-3-hydroxy-2-methylheptanoyl}sulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
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C48H80N7O20P3S
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1199.439179
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LMST04050017
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Bendigole D
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24-dinor-3-oxo,7alpha,12alpha-dihydroxy-chola-1,4-dien-22-oic acid
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ST 22:4;O5
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C22H30O5
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374.209325
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LMST04060030
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Bendigole E
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24-nor-7alpha,12alpha-dihydroxy-cholest-1,4-dien-3,22-dione
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ST 23:4;O4
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C23H32O4
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372.230060
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LMST04060031
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Bendigole B
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24-nor-12alpha-hydroxy-cholest-1,4-dien-3,22-dione
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ST 23:4;O3
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C23H32O3
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356.235145
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LMST04050018
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Bendigole A
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24-dinor-3-oxo,12alpha-hydroxy-chola-1,4-dien-22-oic acid
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ST 22:4;O4
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C22H30O4
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358.214410
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LMST04010458
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Bendigole C
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12alpha,21-dihydroxy-3-oxochola-1,4-dien-24-oic Acid
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ST 24:4;O5
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C24H34O5
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402.240625
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LMST05040021
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N-(3alpha,7alpha,15alpha-Trihydroxy-5beta-cholan-24-oyl)-taurine
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ST 24:1;O4;Tau
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C26H45NO7S
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515.291676
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LMST04030235
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7beta-hydroxy-cholestenoic acid
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3beta,7beta-dihydroxycholest-5-en-25R-26-oic acid
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ST 27:2;O4
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C27H44O4
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432.323960
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LMST04030236
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7beta,24-dihydroxy-cholestenoic acid
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3beta,7beta, 24-trihydroxycholest-5-en-25R-26-oic acid
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ST 27:2;O5
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C27H44O5
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448.318875
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LMST04030237
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7beta,25-dihydroxy-cholestenoic acid
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3beta,7beta, 25-trihydroxycholest-5-en-26-oic acid
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ST 27:2;O5
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C27H44O5
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448.318875
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LMST04030238
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3beta,5alpha,6beta-Trihydroxycholestan-(25R)26-oic acid
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3beta,5alpha,6beta-Trihydroxycholestan-(25R)26-oic acid
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ST 27:1;O5
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C27H46O5
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450.334525
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LMST04030239
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3beta-hydroxy-7-oxocholest-5-en-(25R)26-oic acid
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3beta-hydroxy-7-oxocholest-5-en-(25R)26-oic acid
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ST 27:3;O4
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C27H42O4
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430.308310
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LMST04030241
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3beta,7alpha-Dihydroxy-5-cholestenoic acid
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3beta,7alpha-Dihydroxycholest-5-en-25R(26)-oic acid
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ST 27:2;O4
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C27H44O4
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432.323960
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LMST04030242
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7alpha-hydroxy-3-oxo-4-cholestenoic acid
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7alpha-hydroxy-3-oxocholest-4-en-(25R)26-oic acid
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ST 27:3;O4
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C27H42O4
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430.308310
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LMST04030243
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7alpha,12alpha-dihydroxy-3-oxo-4-cholestenoic acid
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7alpha,12alpha-dihydroxy-3-oxocholest-4-en-(25R)26-oic acid
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ST 27:3;O5
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C27H42O5
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446.303225
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LMST04030244
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3beta,5alpha,6beta,24R-Tetrahydroxycholestan-(25R)26-oyl CoA
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3beta,5alpha,6beta,24R-Tetrahydroxycholestan-(25R)26-oyl CoA
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C48H80N7O21P3S
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1215.434094
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LMST04010459
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3beta,5alpha,6beta,trihydroxycholestan-24-oyl CoA
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3beta,5alpha,6beta,trihydroxycholestan-24-oyl CoA
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C45H74N7O20P3S
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1157.392229
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LMST04010460
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3beta,7beta,dihydroxycholest-5-en-24-oyl CoA
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3beta,7beta,dihydroxycholest-5-en-24-oyl CoA
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C45H72N7O19P3S
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1139.381664
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LMST04030245
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7alpha,12alpha-dihydroxy-3-oxo-5beta-cholestanoic acid
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7alpha,12alpha-dihydroxy-3-oxo-5beta-cholestan-(25R)26-oic acid
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ST 27:2;O5
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C27H44O5
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448.318875
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LMST04030246
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7alpha,12alpha,(25R)26-Trihydroxy-5beta-cholestan-3-one
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7alpha,12alpha,(25R)26-Trihydroxy-5beta-cholestan-3-one
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ST 27:1;O4
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C27H46O4
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434.339610
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LMST04030247
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7alpha,24S-Dihydroxy-3-oxocholest-4-en-26-oic acid
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7alpha,24S-Dihydroxy-3-oxocholest-4-en-26-oic acid
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ST 27:3;O5
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C27H42O5
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446.303225
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LMST05030017
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N-(3beta,7beta,dihydroxycholest-5-en-24-oyl) glycine
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N-(3beta,7beta,dihydroxycholest-5-en-24-oyl) glycine
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ST 24:2;O3;Gly
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C26H41NO5
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447.298474
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|
LMST05030018
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3beta-Hydroxy-7-oxochol-5-en-24-oyl-glycine
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N-(3beta-hydroxy-7-oxocholest-5-en-24-oyl) glycine
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ST 24:3;O3;Gly
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C26H39NO5
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445.282824
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LMST05030019
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3beta,5alpha,6beta-Trihydroxy-cholanoyl-glycine
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N-(3beta,5alpha,6beta,trihydroxycholestan-24-oyl) glycine
|
ST 24:1;O4;Gly
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C26H43NO6
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465.309039
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LMST04030248
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7alpha,12alpha,24,25-Tetrahydroxycholest-4-en-3-one
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7alpha,12alpha,24,25-Tetrahydroxycholest-4-en-3-one
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ST 27:2;O5
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C27H44O5
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448.318875
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|
LMST04030249
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7a,12a,25-Trihydroxycholest-4-en-3,24-dione
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7a,12a,25-Trihydroxycholest-4-en-3,24-dione
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ST 27:3;O5
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C27H42O5
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446.303225
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|
LMST04030251
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7alpha,24S-Dihydroxy-3-oxocholest-4-en-(25R)26-oyl CoA
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7alpha,24S-Dihydroxy-3-oxocholest-4-en-(25R)26-oyl CoA
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C48H76N7O20P3S
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1195.407879
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LMST05030020
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N-(7alpha-Hydroxy-3-oxochol-4-en-24-oyl)-glycine
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N-(7alpha-Hydroxy-3-oxochol-4-en-24-oyl)-glycine
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ST 24:3;O3;Gly
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C26H39NO5
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445.282824
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|
LMST05040022
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N-(7alpha-Hydroxy-3-oxochol-4-en-24-oyl)-taurine
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N-(7alpha-Hydroxy-3-oxochol-4-en-24-oyl)-taurine
|
ST 24:3;O3;Tau
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C26H41NO6S
|
495.265461
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|
LMST04010462
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3-Oxo-delta4-chenodeoxycholyl-CoA
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7alpha-Hydroxy-3-oxochol-4-en-24-oyl CoA
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C45H70N7O19P3S
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1137.366014
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LMST04030252
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(25R)-7alpha-hydroxy-3-oxo-4-cholestenoyl CoA
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7alpha-hydroxy-3-oxocholest-4-en-(25R)26-oyl CoA
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|
C48H76N7O19P3S
|
1179.412964
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|
LMST04030253
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(25S)-7alpha-hydroxy-3-oxo-4-cholestenoyl CoA
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7alpha-hydroxy-3-oxocholest-4-en-(25S)26-oyl CoA
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|
C48H76N7O19P3S
|
1179.412964
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|
LMST04030254
|
|
7alpha-Hydroxy-3,24-bisoxocholest-4-en-(25R)26-oyl-CoA
|
|
C48H74N7O20P3S
|
1193.392229
|
|
LMST04030255
|
7alpha-hydroxy-3-oxo-4-cholestenoic acid
|
7alpha-Hydroxy-3,24-bisoxocholest-4-en-(25R)26-oyl-CoA
|
ST 27:4;O5
|
C27H40O5
|
444.287575
|
|
LMST04030256
|
|
7alpha,24R-Dihydroxy-3-oxocholest-4-en-(25R)26-oyl-CoA
|
|
C48H76N7O20P3S
|
1195.407879
|
|
LMST04030257
|
|
7alpha,24R-Dihydroxy-3-oxocholest-4-en-(25R)26-oic acid
|
ST 27:3;O5
|
C27H42O5
|
446.303225
|
|
LMST04030258
|
|
7alpha-Hydroxy-3-oxocholest-4,24(E)-dien-26-oyl-CoA
|
|
C48H74N7O19P3S
|
1177.397314
|
|
LMST04030259
|
|
7alpha,24S-dihydroxy-3-oxocholest-4-en-(25S)26-oyl-CoA
|
|
C48H76N7O20P3S
|
1195.407879
|
|
LMST04030260
|
|
7alpha,24S-dihydroxy-3-oxocholest-4-en-(25S)26-oic acid
|
ST 27:3;O5
|
C27H42O5
|
446.303225
|
|
LMST05050051
|
SNAG-delta5-CA
|
3beta-sulfooxy-7beta-N-acetylglucosaminyl-5-cholen-24-oic acid
|
|
C32H51NO12S
|
673.313201
|