LMGL03016874 LIPID_MAPS_STRUCTURE_DATABASE 76 75 0 0 0 0 0 0 0 0999 V2000 23.1799 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4571 6.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7345 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0116 6.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2891 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2891 8.2272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8747 6.2531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0394 6.2531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3167 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3167 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5942 6.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5664 6.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1799 8.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7700 8.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7700 9.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4927 8.3993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8659 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1376 6.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4093 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6810 6.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9526 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2243 6.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4960 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7677 6.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0393 6.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3110 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5827 6.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8544 6.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1260 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3977 6.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6694 6.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9411 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2127 6.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4844 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7561 6.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0277 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8382 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1099 6.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3815 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6532 6.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9249 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1966 6.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4682 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7399 6.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0116 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2833 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5549 6.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8266 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0983 6.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3700 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6416 6.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9133 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1850 6.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4567 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7283 6.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0423 10.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3139 9.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5856 10.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8573 9.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1290 10.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4006 10.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6723 9.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9440 10.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2156 10.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4873 9.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7590 10.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0307 10.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3023 9.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5740 10.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8457 10.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1174 9.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3890 10.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6607 10.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9324 9.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2041 10.0684 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 2 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 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 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 2 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 M END > LMGL03016874 > TG 22:1(11Z)/22:3(10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z) [iso6] > 1-11Z-docosenoyl-2-(10Z,13Z,16Z-docosatrienoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol > C69H116O6 > 1040.88 > Glycerolipids [GL] > Triradylglycerols [GL03] > Triacylglycerols [GL0301] > - > TG(66:9); TG(22:1_22:3_22:5) > AKQDQYMUFCBRIR-UATKJVEESA-N > InChI=1S/C69H116O6/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/h7,10,16,18-19,21,25,27-28,30,32,34-37,39,43,46,66H,4-6,8-9,11-15,17,20,22-24,26,29,31,33,38,40-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,35-32-,37-34-,39-36-,46-43-/t66-/m0/s1 > C(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCC/C=C\CCCCCCCCCC)=O > - > - > - > TG 66:9 > - > - > 56940656 > - > - > - > - > - > - > - $$$$