LMST01020116 LIPID_MAPS_STRUCTURE_DATABASE 49 53 0 0 0 999 V2000 8.3321 8.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 8.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 7.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3321 6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2650 7.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1982 6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1313 7.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1313 8.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1982 8.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2650 8.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1982 9.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1313 10.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0639 9.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0639 8.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9301 8.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9301 9.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 10.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0639 10.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2650 8.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 11.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6012 10.7425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7318 6.7761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1313 9.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1777 7.8712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0639 7.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2650 6.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8013 11.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8013 12.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 13.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1933 12.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1933 11.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 13.8218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8630 7.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8630 8.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 6.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1268 7.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2584 6.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3901 7.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5218 6.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6535 7.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 6.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0832 7.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9514 6.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8197 7.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6881 6.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5564 7.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4247 6.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2889 7.2809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3990 9.4933 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 1 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 19 49 2 0 0 0 M END > LMST01020116 > hellebrigenin-3-(14-hydroxymyristate) > 3beta,5beta,14beta-trihydroxy-19oxo-bufa-20,22-dienolide-3beta-yl-14-hydroxy-tetradecanoate > C38H58O8 > 642.41 > Sterol Lipids [ST] > Sterols [ST01] > Steryl esters [ST0102] > - > hellebrigenin-3-(14-hydroxytetradecanoic acid) ester > KVUDEAUTMYVIDR-ZPTGAHISSA-N > InChI=1S/C38H58O8/c1-35-20-17-31-32(38(35,44)23-19-30(35)28-14-15-33(41)45-26-28)18-22-37(43)25-29(16-21-36(31,37)27-40)46-34(42)13-11-9-7-5-3-2-4-6-8-10-12-24-39/h14-15,26-27,29-32,39,43-44H,2-13,16-25H2,1H3/t29-,30+,31-,32+,35+,36-,37-,38-/m0/s1 > C1[C@]2(C=O)[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(CCCCCCCCCCCCCO)=O)C1 > - > - > - > - > - > - > 171120331 > - > Sterol Lipids [ST] > Sterols [ST01] > Bufanolides and derivatives [ST0113] > - > 30331 > - $$$$