LMST05020033 LIPID_MAPS_STRUCTURE_DATABASE 37 40 0 0 0 999 V2000 12.9263 8.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9210 10.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0647 10.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0735 9.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7863 10.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7829 9.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4954 9.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4988 10.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6442 10.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9236 9.7718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7550 11.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7818 8.3395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2223 8.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2223 7.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0735 7.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9263 7.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3767 9.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 8.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 7.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3767 7.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0735 8.3155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6476 11.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6856 7.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7091 7.3371 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7091 8.3136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7091 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 7.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2223 9.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4954 12.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8040 12.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6476 12.7378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3411 11.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1867 12.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0324 11.7576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1867 13.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2223 6.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7715 7.3290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 6 7 1 0 0 0 0 1 10 1 1 0 0 0 5 11 1 1 0 0 0 6 12 1 6 0 0 0 4 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 1 1 0 0 0 0 13 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 14 1 0 0 0 0 4 21 1 6 0 0 0 9 22 1 0 0 0 0 19 23 1 1 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 13 28 1 1 0 0 0 22 29 1 0 0 0 0 22 30 1 6 0 0 0 22 31 1 1 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 14 36 1 1 0 0 0 16 37 1 1 0 0 0 M END > LMST05020033 > Ursodeoxycholic acid 3-sulfate > 3a,7beta-Dihydroxy-5beta-cholan-24-oic acid 3-sulfate > C24H40O7S > 472.25 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Sulfates [ST0502] > - > Ursodeoxycholate 3-sulfate > - > HMDB02642 > - > - > - > - > - > - > - > 44263375 > - > - > Active > - > https://www.lipidmaps.org/databases/lmsd/LMST05020033 $$$$