DAT(18:0/21:0(2Me[R],3OH[R],4Me[S],6Me[S])) LIPID_MAPS_05012419372D Structure generated using tools available at www.lipidmaps.org 68 69 0 0 0 0 0 0 0 0999 V2000 4.0827 1.9722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9985 1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9694 3.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1123 3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 4.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8841 3.6142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9049 1.3299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1306 3.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8783 1.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8692 3.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9266 3.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8111 -1.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8029 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0390 -1.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8335 -2.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8286 -2.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7373 -0.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0072 0.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9265 0.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0338 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8044 -2.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3894 -0.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0537 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0537 -1.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3491 -2.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8588 -3.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 -4.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0488 -5.0934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3221 -3.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6021 -4.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8821 -3.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1621 -4.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4421 -3.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2779 -4.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9979 -3.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7179 -4.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4379 -3.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1579 -4.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8779 -3.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5979 -4.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3179 -3.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0379 -4.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7579 -3.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4779 -4.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1979 -3.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9179 -4.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6379 -3.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3579 -4.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3221 -3.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6021 -5.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8821 -3.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4421 -3.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6291 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0909 -2.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8109 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5309 -2.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2509 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9709 -2.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6909 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4109 -2.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1309 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8509 -2.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5709 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2909 -2.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0109 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7309 -2.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4509 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1709 -2.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 9 1 0 0 0 0 3 10 1 0 0 0 0 3 4 1 0 0 0 0 1 4 1 0 0 0 0 3 5 1 6 0 0 0 10 6 1 1 0 0 0 2 18 1 6 0 0 0 9 7 1 6 0 0 0 4 8 1 1 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 13 12 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 14 15 1 0 0 0 0 12 15 1 0 0 0 0 14 16 1 1 0 0 0 20 17 1 6 0 0 0 13 18 1 1 0 0 0 19 20 1 0 0 0 0 12 21 1 1 0 0 0 15 26 1 6 0 0 0 17 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 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 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 1 0 0 0 0 29 49 1 1 0 0 0 30 50 1 6 0 0 0 31 51 1 6 0 0 0 33 52 1 6 0 0 0 25 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 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 M END> LMSL03000008 > DAT(18:0/21:0(2Me[R],3OH[R],4Me[S],6Me[S])) > 2-O-octadecanoyl-3-O-(2R,4S,6S-trimethyl-3R-hydroxy-henicosanoyl)-alpha,alpha-trehalose > C54H102O14 > 974.73 > Saccharolipids [SL] > Acyltrehaloses [SL03] > > - > > - > - > - > - > - > - > - > - > - > 52929845 > - > - > Active (generated by computational methods) > - > https://www.lipidmaps.org/databases/lmsd/LMSL03000008 $$$$