LMSL03000020 LIPID_MAPS_STRUCTURE_DATABASE 69 70 0 0 0 999 V2000 21.2122 -5.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5725 -3.3872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6511 -3.7563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6581 -6.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8983 -4.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6134 -6.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2516 -5.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9345 -4.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9734 -4.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3354 -5.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3745 -5.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8313 -8.7686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7394 -10.6800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8435 -10.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5413 -8.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3204 -10.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4841 -7.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8837 -8.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3400 -9.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3920 -9.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9926 -9.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0448 -9.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0313 -7.0259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0063 -8.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0063 -7.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2358 -8.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3824 -8.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5290 -8.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6756 -8.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8224 -8.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9689 -8.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1156 -8.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2623 -8.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4089 -8.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5557 -8.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7023 -8.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8489 -8.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9955 -8.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1422 -8.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2889 -8.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4355 -8.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5822 -8.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9965 -11.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9965 -11.9628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1430 -10.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2897 -11.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4364 -10.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5830 -11.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7297 -10.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8763 -11.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0229 -10.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1696 -11.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3163 -10.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4629 -11.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6096 -10.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7563 -11.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9030 -10.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0496 -11.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -10.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3428 -11.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 -10.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6362 -11.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7829 -10.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9295 -11.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1430 -10.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4364 -10.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7385 -8.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0419 -10.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1992 -11.2700 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 42 67 1 0 0 0 64 68 1 0 0 0 68 69 1 0 0 0 M END > LMSL03000020 > DAT(19:0/23:0(2Me[S],4Me[S])) > 2-O-nonadecanoyl-3-O-(2S,4S-dimethyl-tricosanoyl)-alpha,alpha-trehalose > C56H106O13 > 986.76 > Saccharolipids [SL] > Acyltrehaloses [SL03] > > - > > HLFVDJWLLBLICC-WBPQFDPKSA-N > InChI=1S/C56H106O13/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-43(3)40-44(4)54(64)68-52-49(61)46(42-58)66-56(69-55-51(63)50(62)48(60)45(41-57)65-55)53(52)67-47(59)39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2/h43-46,48-53,55-58,60-63H,5-42H2,1-4H3/t43-,44-,45+,46+,48+,49+,50-,51+,52-,53+,55+,56+/m0/s1 > O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@H](OC(CCCCCCCCCCCCCCCCCC)=O)[C@@H](OC([C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCC)=O)[C@H](O)[C@@H](CO)O1 > - > - > - > - > - > - > 52929857 > - > - > - > - > - > 1773 > 21285232 $$$$