LMST01020131 LIPID_MAPS_STRUCTURE_DATABASE 48 52 0 0 0 999 V2000 8.1506 8.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2154 8.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2154 7.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1506 6.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0857 7.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0210 6.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9562 7.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9562 8.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0210 8.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0857 8.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0210 10.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9562 10.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8909 10.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8909 8.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7612 8.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7612 10.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8262 10.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8909 10.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0857 9.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8262 11.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4316 10.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5465 6.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9562 9.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0005 8.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8909 8.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0857 6.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6322 11.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6322 12.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8262 13.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0206 12.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0206 11.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8262 14.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6769 7.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6769 8.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8011 6.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9251 7.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0489 6.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1728 7.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2965 6.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4204 7.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4557 7.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3319 6.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 7.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0842 6.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9603 7.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8365 6.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7128 7.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5771 6.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 20 1 0 0 0 1 10 1 0 0 0 5 10 1 0 0 0 9 10 1 0 0 0 8 14 1 0 0 0 13 17 1 0 0 0 13 18 1 1 0 0 10 19 1 1 0 0 17 21 1 6 0 0 3 22 1 1 0 0 8 23 1 1 0 0 9 24 1 6 0 0 14 25 1 1 0 0 5 26 1 1 0 0 20 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 20 2 0 0 0 29 32 2 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 22 33 1 0 0 0 0 M END > LMST01020131 > 3-(14-Hydroxy-7Z-tetradecenoyl)-telocinobufagin > 3beta,5beta,14beta-trihydroxy-bufa-20,22-dienolide-3beta-yl-14-hydroxy-7Z-tetradecenooate > C38H58O7 > 626.42 > Sterol Lipids [ST] > Sterols [ST01] > Steryl esters [ST0102] > - > telocinobufagin-3-(14-hydroxy-7Z-tetradecenoic acid) ester; Telocinobufagin-3-(14-hydroxy-7Z-tetradecenoate) > JXJFHHURQQDYOJ-CCYYVVCJSA-N > InChI=1S/C38H58O7/c1-35-21-17-29(45-34(41)14-12-10-8-6-4-3-5-7-9-11-13-25-39)26-37(35,42)23-19-32-31(35)18-22-36(2)30(20-24-38(32,36)43)28-15-16-33(40)44-27-28/h3-4,15-16,27,29-32,39,42-43H,5-14,17-26H2,1-2H3/b4-3-/t29-,30+,31-,32+,35+,36+,37-,38-/m0/s1 > C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5=COC(=O)C=C5)CC[C@]4(O)[C@]3([H])CC[C@]2(O)C[C@@H](OC(CCCCC/C=C\CCCCCCO)=O)C1 > - > - > - > - > - > - > 178334223 > - > Sterol Lipids [ST] > Sterols [ST01] > Bufanolides and derivatives [ST0113] > - > 30331 > 39051843 $$$$