LMST01020174 LIPID_MAPS_STRUCTURE_DATABASE 53 56 0 0 0 999 V2000 -0.6429 -1.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6486 0.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5525 0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5434 -0.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2649 0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2613 -0.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0691 -0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0728 0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1706 0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6459 -0.4321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2575 1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1595 1.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0589 2.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1721 2.7286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9398 1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8243 2.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7053 1.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5899 2.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2601 -1.4029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7053 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4417 -1.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4417 -2.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5434 -2.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6429 -2.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3344 -0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2271 -1.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2271 -2.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3344 -2.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4675 -0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8036 1.1606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3637 2.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5691 -1.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9371 -2.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8048 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6707 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5368 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4028 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2689 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8048 -1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1349 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0009 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8671 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7330 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7330 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5991 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4652 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3311 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1972 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0632 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.9293 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.7952 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.6613 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3311 -3.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 6 7 1 0 0 0 0 1 10 1 1 0 0 0 5 11 1 1 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 1 0 0 0 13 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 6 19 1 6 0 0 0 17 20 1 0 0 0 0 4 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 1 1 0 0 0 0 21 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 22 1 0 0 0 0 21 29 1 1 0 0 0 9 30 1 6 0 0 0 12 31 1 6 0 0 0 4 32 1 6 0 0 0 27 33 1 1 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 38 37 1 0 0 0 0 34 39 2 0 0 0 0 40 38 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 47 53 1 1 0 0 0 34 33 1 0 0 0 0 M END > LMST01020174 > 13S-HODE cholesteryl ester > cholest-5-en-3beta-yl -13S-hydroxy-9Z,11E-octadecadienoate > C45H76O3 > 664.58 > Sterol Lipids [ST] > Sterols [ST01] > Steryl esters [ST0102] > - > 13S-hydroxy-9Z,11E-octadecadienoic acid, cholesteryl ester > RZXYPSUQZUUHPD-XFIJILBJSA-N > InChI=1S/C45H76O3/c1-7-8-16-22-37(46)23-17-14-12-10-9-11-13-15-18-24-43(47)48-38-29-31-44(5)36(33-38)25-26-39-41-28-27-40(35(4)21-19-20-34(2)3)45(41,6)32-30-42(39)44/h12,14,17,23,25,34-35,37-42,46H,7-11,13,15-16,18-22,24,26-33H2,1-6H3/b14-12-,23-17+/t35-,37+,38+,39+,40-,41+,42+,44+,45-/m1/s1 > [C@]12(CC=C3C[C@@H](OC(=O)CCCCCCC/C=C\C=C\[C@@H](O)CCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CC[C@@]21[H])[H] > - > - > - > CE 18:2;O > - > - > 71684436 > - > - > - > - > - > 9986 > 9722553 $$$$