LMST01020115 LIPID_MAPS_STRUCTURE_DATABASE 48 52 0 0 0 999 V2000 8.3332 8.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4001 8.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4001 7.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3332 6.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2662 7.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1995 6.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1327 7.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1327 8.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1995 8.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2662 8.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1995 9.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1327 10.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0655 9.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0655 8.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9319 8.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9319 9.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9989 10.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0655 10.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2662 8.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9989 11.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6030 10.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7327 6.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1327 9.1558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1790 7.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0655 7.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2662 6.3605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8031 11.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8031 12.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9989 13.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1949 12.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1949 11.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9989 13.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8638 7.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8638 8.2712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9957 6.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1273 7.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2588 6.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3904 7.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 6.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6536 7.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 6.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 7.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9517 6.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8201 7.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6886 6.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5570 7.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4254 6.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2897 7.2818 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 M END > LMST01020115 > 3beta,5beta,10beta,14beta-tetrahydroxy-19-norbufa-20,22-dienolide-3-(14-hydroxy-myristate > 3beta,5beta,10beta,14beta-tetrahydroxy-19-norbufa-20,22-dienolide-3beta-yl-14-hydroxy-tetradecanoate > C37H58O8 > 630.41 > Sterol Lipids [ST] > Sterols [ST01] > Steryl esters [ST0102] > - > 3beta,5beta,10beta,14beta-tetrahydroxy-19-norbufa-20,22-dienolide-3-(14-hydroxytetradecanoic acid) ester > KDJIHPUDGTYLFZ-GNWVSPHUSA-N > InChI=1S/C37H58O8/c1-34-20-17-31-30(36(34,42)23-19-29(34)27-14-15-32(39)44-26-27)18-21-35(41)25-28(16-22-37(31,35)43)45-33(40)13-11-9-7-5-3-2-4-6-8-10-12-24-38/h14-15,26,28-31,38,41-43H,2-13,16-25H2,1H3/t28-,29+,30+,31-,34+,35-,36-,37-/m0/s1 > C1[C@]2(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 > - > - > - > - > - > - > 171119011 > - > Sterol Lipids [ST] > Sterols [ST01] > Bufanolides and derivatives [ST0113] > - > 30331 > - $$$$