LMST01020019 LIPID_MAPS_STRUCTURE_DATABASE 56 59 0 0 0 0 0 0 0 0999 V2000 7.2187 6.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9220 6.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4374 6.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1408 6.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8441 6.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5474 6.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5474 7.6838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9991 7.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9991 6.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6946 6.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6946 8.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3988 6.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1084 6.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7999 6.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3988 7.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8094 7.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8077 9.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0954 8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1027 8.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5273 8.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5245 8.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9486 8.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9515 8.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2410 9.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3017 6.4672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3509 8.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8098 8.4894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5012 9.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2437 10.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9406 10.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3757 10.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2420 10.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6347 10.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3316 10.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0256 10.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7225 10.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1005 7.2893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5236 7.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0405 9.3327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0228 9.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6253 6.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4066 6.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7033 6.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7033 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4066 5.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2187 5.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9219 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6252 5.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4373 5.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1406 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8438 5.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6559 5.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3592 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0625 5.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 6 7 2 0 0 0 0 8 11 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 15 11 1 0 0 0 0 12 15 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 19 15 1 0 0 0 0 16 19 1 0 0 0 0 16 21 1 0 0 0 0 20 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 20 1 0 0 0 0 21 22 1 0 0 0 0 9 25 1 1 0 0 0 15 26 1 1 0 0 0 16 27 1 1 0 0 0 20 28 1 1 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 6 0 0 0 29 32 1 1 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 19 37 1 6 0 0 0 21 38 1 6 0 0 0 24 39 1 6 0 0 0 35 40 1 0 0 0 0 16 14 1 0 0 0 0 6 25 1 0 0 0 0 3 41 2 0 0 0 0 41 2 1 0 0 0 0 1 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 50 51 2 0 0 0 0 52 51 1 0 0 0 0 53 52 1 0 0 0 0 53 54 2 0 0 0 0 55 54 1 0 0 0 0 56 55 1 0 0 0 0 M END > LMST01020019 > 22:6 Cholesterol ester > cholest-5-en-3beta-yl (4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoate) > C49H76O2 > 696.58 > Sterol Lipids [ST] > Sterols [ST01] > Steryl esters [ST0102] > - > CE(22:6) > VOEVEGPMRIYYKC-HNJOWPRISA-N > InChI=1S/C49H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h8-9,11-12,14-15,17-18,20-21,23-24,30,39-40,42-46H,7,10,13,16,19,22,25-29,31-38H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-,24-23-/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1 > C(=C/C/C=C\C/C=C\C/C=C\C/C=C\CC)/C/C=C\CCC(O[C@@H]1CC2=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@]([H])(C)CCCC(C)C)[C@@]4(C)CC[C@]3([H])[C@@]2(C)CC1)=O > - > HMDB06733 > 74102 > CE 22:6 > - > SLM:000500287 > 14274978 > - > - > - > - > - > 9606 > 20671299 $$$$