LMST05020030 LIPID_MAPS_STRUCTURE_DATABASE 44 47 0 0 0 999 V2000 11.0067 8.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0012 10.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1382 10.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1471 9.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8735 10.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8698 9.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5958 9.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5993 10.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7381 10.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0039 9.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8418 11.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7274 11.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5861 12.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7394 12.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4271 11.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2717 12.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1126 11.7885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9571 12.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8688 8.3624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2894 8.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2894 7.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1471 7.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0067 7.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4371 9.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5849 8.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5849 7.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4371 7.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2894 9.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 7.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5885 11.2035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9677 12.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1471 8.3383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2894 6.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2751 13.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8076 11.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8589 7.3447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6599 12.2690 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.9639 12.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 12.7611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3558 11.5731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8431 7.3447 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.8431 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8273 7.3447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8431 8.3289 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 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 1 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 6 19 1 6 0 0 0 4 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 1 1 0 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 21 1 0 0 0 0 20 28 1 1 0 0 0 26 29 1 6 0 0 0 9 30 1 6 0 0 0 12 31 1 6 0 0 0 4 32 1 6 0 0 0 21 33 1 1 0 0 0 16 34 2 0 0 0 0 18 35 1 0 0 0 0 23 36 1 6 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 37 40 2 0 0 0 0 36 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 41 44 2 0 0 0 0 M END > LMST05020030 > Taurochenodeoxycholic acid 7-sulfate > N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)-taurine 7-sulfate > C26H45NO9S2 > 579.25 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Sulfates [ST0502] > - > Taurochenodeoxycholate-7-sulfate > WTKQKSAFONWCMW-BJLOMENOSA-N > InChI=1S/C26H45NO9S2/c1-16(4-7-23(29)27-12-13-37(30,31)32)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)36-38(33,34)35/h16-22,24,28H,4-15H2,1-3H3,(H,27,29)(H,30,31,32)(H,33,34,35)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1 > [C@]12([C@H](OS(=O)(O)=O)C[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCC(=O)NCCS(=O)(O)=O)CC[C@@]21[H])[H] > - > HMDB0002498 > 166738 > - > - > - > 20842013 > - > Sterol Lipids [ST]; Sterol Lipids [ST] > Steroid conjugates [ST05]; Bile acids and derivatives [ST04] > Taurine conjugates [ST0504]; C24 bile acids, alcohols, and derivatives [ST0401] > -; - > - > - $$$$