LMST01020029 LIPID_MAPS_STRUCTURE_DATABASE 56 59 0 0 0 0 0 0 0 0999 V2000 11.4755 6.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0638 6.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6519 6.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2401 6.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8826 6.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8826 7.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4116 7.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4116 6.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1440 6.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1440 8.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8857 6.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6331 6.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3613 6.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8857 7.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3712 7.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3694 9.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6193 8.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6270 8.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1274 8.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1244 8.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6243 8.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6273 8.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8790 9.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6770 6.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8353 8.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3716 8.4687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0999 9.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8818 10.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6159 10.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9676 10.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8801 11.0484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3468 10.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0807 10.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8117 10.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5456 10.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6247 7.2047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1235 7.2142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7211 9.3568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8087 9.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8649 6.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5457 6.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5457 5.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2053 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8649 5.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8863 6.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2267 6.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2267 5.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9077 6.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9077 5.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2481 6.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5887 6.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5887 5.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8863 7.4044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3660 7.8841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 5 6 2 0 0 0 0 7 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 14 10 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 18 14 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 19 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 19 1 0 0 0 0 20 21 1 0 0 0 0 8 24 1 1 0 0 0 14 25 1 1 0 0 0 15 26 1 1 0 0 0 19 27 1 1 0 0 0 23 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 6 0 0 0 28 31 1 1 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 18 36 1 6 0 0 0 20 37 1 6 0 0 0 23 38 1 6 0 0 0 34 39 1 0 0 0 0 15 13 1 0 0 0 0 5 24 1 0 0 0 0 1 40 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 40 1 0 0 0 0 41 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 47 1 0 0 0 0 48 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 45 55 1 0 0 0 0 55 56 1 0 0 0 0 M END > LMST01020029 > Cholesteryl 11-hydroperoxy-eicosatetraenoate > cholest-5-en-3beta-yl (15S-hydroperoxy-5Z,8Z,12E,14Z-eicosatetraenoate) > C47H76O4 > 704.57 > Sterol Lipids [ST] > Sterols [ST01] > Steryl esters [ST0102] > - > > JLEGGACLWZYPAC-PBMFZXHMSA-N > InChI=1S/C47H76O4/c1-7-8-9-10-12-15-18-24-39(51-49)25-19-16-13-11-14-17-20-26-45(48)50-40-31-33-46(5)38(35-40)27-28-41-43-30-29-42(37(4)23-21-22-36(2)3)47(43,6)34-32-44(41)46/h11-12,14-16,18-19,24,27,36-37,39-44,49H,7-10,13,17,20-23,25-26,28-35H2,1-6H3/b14-11-,15-12-,19-16-,24-18+/t37-,39?,40+,41+,42-,43+,44+,46+,47-/m1/s1 > C(=C/C/C=C\CC(OO)/C=C/C=C\CCCCC)/CCCC(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 > - > - > 137247 > - > - > - > 24779608 > - > - > - > - > - > - > - $$$$