LMGL03012547 LIPID_MAPS_STRUCTURE_DATABASE 76 75 0 0 0 0 0 0 0 0999 V2000 23.1156 7.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3952 6.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6752 7.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9549 6.9688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2349 7.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2349 8.2158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8114 6.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9791 6.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2590 5.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2590 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5389 6.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5148 6.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1156 8.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7035 8.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7035 9.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4237 8.3872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8133 5.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0876 6.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3618 5.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6361 6.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9103 5.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1846 6.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4588 5.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7331 6.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0073 5.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2816 6.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5558 5.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8301 5.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1043 6.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3786 5.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6528 5.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9271 6.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2014 5.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4756 6.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7499 5.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0241 6.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7892 7.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0634 6.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3377 7.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6120 6.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8862 7.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1605 6.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4347 7.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7090 6.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9832 7.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2575 6.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5317 7.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8060 7.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0802 6.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3545 7.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6287 6.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9030 7.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1772 6.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4515 7.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7257 6.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9784 10.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2526 9.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5269 10.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8011 9.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0754 10.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3496 10.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6239 9.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8981 10.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1724 10.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4466 9.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7209 10.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9951 10.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2694 9.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5437 10.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8179 10.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0922 9.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3664 10.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6407 9.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9149 10.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1892 9.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 6 0 0 0 2 7 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 1 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 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 35 36 1 0 0 0 0 12 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 2 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 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 54 55 1 0 0 0 0 55 56 1 0 0 0 0 15 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 M END > LMGL03012547 > TG 22:1(13Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z) [iso6] > 1-(13Z-docosenoyl)-2-(13Z,16Z-docosadienoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol > C69H120O6 > 1044.91 > Glycerolipids [GL] > Triradylglycerols [GL03] > Triacylglycerols [GL0301] > - > TG(22:1/22:2/22:4)[iso6]; TG(66:7); TG(22:1_22:2_22:4) > VXCQEKZHWDNJNE-WGLMLEPBSA-N > InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-30,34,37,43,46,66H,4-15,17,20,22-24,31-33,35-36,38-42,44-45,47-65H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-/t66-/m0/s1 > C(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCC/C=C\CCCCCCCC)=O > - > - > - > TG 66:7 > - > SLM:000279531 > 9546505 > - > - > - > - > - > - > - $$$$