LMSL03000012 LIPID_MAPS_STRUCTURE_DATABASE 67 68 0 0 0 999 V2000 20.9384 -5.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2987 -3.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3773 -4.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3844 -6.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6245 -5.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3396 -6.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9779 -5.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6608 -4.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6996 -4.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0617 -5.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1008 -6.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5575 -9.1686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4657 -11.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5697 -11.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2675 -8.4675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0466 -10.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2104 -8.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6100 -9.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0663 -10.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1182 -10.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7188 -9.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7710 -9.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7575 -7.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7325 -8.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7325 -7.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9621 -9.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1087 -8.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2553 -9.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4018 -8.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5486 -9.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6952 -8.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8419 -9.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9886 -8.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1351 -9.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2820 -8.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4285 -9.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5752 -8.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7218 -9.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8684 -8.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0152 -9.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1618 -8.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3084 -9.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7228 -11.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7228 -12.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8693 -11.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0160 -11.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1626 -11.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3092 -11.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4560 -11.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6026 -11.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7492 -11.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8958 -11.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0426 -11.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1891 -11.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3359 -11.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4825 -11.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6293 -11.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7759 -11.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9224 -11.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0691 -11.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2157 -11.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -11.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5091 -11.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6557 -11.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8693 -10.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1626 -10.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7682 -11.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 11 1 0 0 0 10 4 1 0 0 0 4 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 1 0 0 7 1 1 6 0 0 8 2 1 1 0 0 9 3 1 6 0 0 16 22 1 0 0 0 21 15 1 0 0 0 15 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 6 0 0 18 12 1 1 0 0 19 13 1 6 0 0 20 14 1 1 0 0 17 23 1 1 0 0 6 23 1 6 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 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 36 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 12 24 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 1 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 56 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 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 45 65 1 6 0 0 0 47 66 1 6 0 0 0 13 43 1 0 0 0 0 64 67 1 0 0 0 M END > LMSL03000012 > DAT(18:0/22:0(2Me[S],4Me[S])) > 2-O-octadecanoyl-3-O-(2S,4S-dimethyl-docosanoyl)-alpha,alpha-trehalose > C54H102O13 > 958.73 > Saccharolipids [SL] > Acyltrehaloses [SL03] > > - > > - > - > - > - > - > - > - > - > - > 52929849 > - > - > Active (generated by computational methods) > - > https://lipidmaps.org/databases/lmsd/LMSL03000012 $$$$