LMST01020145 LIPID_MAPS_STRUCTURE_DATABASE 47 51 0 0 0 999 V2000 3.7372 6.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3631 8.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4321 7.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4321 6.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3631 6.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2939 6.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2248 6.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1558 6.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1558 7.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2248 8.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2939 7.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2248 9.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1558 9.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0865 9.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0865 8.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9485 8.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9485 9.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0177 9.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0865 10.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0177 10.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6205 10.2523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1558 8.6680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2045 7.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0865 7.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2939 5.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8200 11.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8200 12.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0177 12.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2154 12.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2154 11.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0177 13.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8567 6.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8567 7.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9808 6.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1043 6.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2281 6.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6481 6.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5244 6.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4007 6.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 6.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1536 6.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0092 6.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8683 6.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7240 6.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5833 6.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4389 6.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2980 6.7456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 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 18 20 1 0 0 0 0 2 11 1 0 0 0 0 6 11 1 0 0 0 0 10 11 1 0 0 0 0 9 15 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 1 0 0 0 18 21 1 6 0 0 0 9 22 1 1 0 0 0 10 23 1 6 0 0 0 15 24 1 1 0 0 0 6 25 1 1 0 0 0 20 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 20 2 0 0 0 0 28 31 2 0 0 0 0 4 1 1 1 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 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 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 32 1 1 0 0 0 M END > LMST01020145 > 3-(14-Hydroxy-tetradecanoyl)-(3β,5β,14β)-3beta,5beta,14beta-trihydroxy-19-norbufa-20,22-dienlide > 3beta,5beta,14beta-trihydroxy-19-nor-bufa-20,22-dienolide-3beta-yl-14-hydroxy-tetradecanoate > C37H58O7 > 614.42 > Sterol Lipids [ST] > Sterols [ST01] > Steryl esters [ST0102] > - > > DKSXYHIQNKPJMU-RSROOBPASA-N > InChI=1S/C37H58O7/c1-35-21-18-29-31-16-15-28(44-34(40)13-11-9-7-5-3-2-4-6-8-10-12-24-38)25-36(31,41)22-19-32(29)37(35,42)23-20-30(35)27-14-17-33(39)43-26-27/h14,17,26,28-32,38,41-42H,2-13,15-16,18-25H2,1H3/t28-,29+,30+,31?,32+,35+,36-,37-/m0/s1 > O(C(CCCCCCCCCCCCCO)=O)[C@@H]1C[C@]2(O)C([C@@]3([H])CC[C@]4(C)[C@@]([H])(C5=COC(=O)C=C5)CC[C@]4(O)[C@]3([H])CC2)CC1 > - > - > - > - > - > - > - > - > Sterol Lipids [ST] > Sterols [ST01] > Bufanolides and derivatives [ST0113] > - > 30331 > 39051843 $$$$