LMST01020118 LIPID_MAPS_STRUCTURE_DATABASE 49 53 0 0 0 999 V2000 8.3319 8.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3989 8.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3989 7.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3319 6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2648 7.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1311 7.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1311 8.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 8.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2648 8.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 9.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1311 10.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0637 9.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0637 8.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9299 8.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9299 9.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9970 10.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0637 10.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2648 8.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9970 11.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6010 10.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7316 6.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1311 9.1544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1775 7.8710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0637 7.9415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2648 6.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8011 11.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8011 12.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9970 13.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1931 12.6480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1931 11.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9970 13.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8629 7.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8629 8.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9950 6.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1268 7.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2584 6.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3901 7.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5218 6.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6535 7.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 6.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0832 7.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9514 6.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8197 7.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6881 6.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5564 7.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4246 6.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2888 7.2807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3988 9.4931 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 1 0 0 0 M END > LMST01020118 > hellebrigenol-3-(14-hydroxymyristate) > 3beta,5beta,14beta,19-tetrahydroxy-bufa-20,22-dienolide-3beta-yl-14-hydroxy-tetradecanoate > C38H60O8 > 644.43 > Sterol Lipids [ST] > Sterols [ST01] > Steryl esters [ST0102] > - > hellebrigenol-3-(14-hydroxytetradecanoic acid) ester > SQKIMIFVTRHHJO-ZPTGAHISSA-N > InChI=1S/C38H60O8/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/h14-15,26,29-32,39-40,43-44H,2-13,16-25,27H2,1H3/t29-,30+,31-,32+,35+,36-,37-,38-/m0/s1 > C1[C@]2(CO)[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 > - > - > - > - > - > - > 171120332 > - > Sterol Lipids [ST] > Sterols [ST01] > Bufanolides and derivatives [ST0113] > - > 30331 > - $$$$