LMSL03000019 LIPID_MAPS_STRUCTURE_DATABASE 68 69 0 0 0 999 V2000 21.0973 1.9970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4576 3.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5362 3.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5432 0.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7834 2.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4985 0.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1367 1.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8196 2.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8585 2.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2205 1.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2596 1.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7164 -1.7636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6245 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7286 -3.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4264 -1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2055 -3.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3692 -0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7688 -1.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2251 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2771 -2.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8777 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9299 -2.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9164 -0.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8914 -1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8914 -0.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1209 -1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2675 -1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4141 -1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5607 -1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7075 -1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8540 -1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0007 -1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1474 -1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2940 -1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4408 -1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5874 -1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7340 -1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 -1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0273 -1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1740 -1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3206 -1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4673 -1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8816 -4.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8816 -4.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0281 -3.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1748 -4.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3215 -3.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4681 -4.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6148 -3.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7614 -4.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9080 -3.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0547 -4.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2014 -3.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3480 -4.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4947 -3.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6414 -4.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7881 -3.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9347 -4.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0813 -3.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2279 -4.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3746 -3.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5213 -4.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 -3.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8146 -4.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0281 -3.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3215 -3.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6236 -1.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 -3.7267 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 M END > LMSL03000019 > DAT(19:0/22:0(2Me[S],4Me[S])) > 2-O-nonadecanoyl-3-O-(2S,4S-dimethyl-docosanoyl)-alpha,alpha-trehalose > C55H104O13 > 972.75 > Saccharolipids [SL] > Acyltrehaloses [SL03] > > - > > OFQYGAVCHWKVME-JBQLPPLGSA-N > InChI=1S/C55H104O13/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(3)39-43(4)53(63)67-51-48(60)45(41-57)65-55(68-54-50(62)49(61)47(59)44(40-56)64-54)52(51)66-46(58)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h42-45,47-52,54-57,59-62H,5-41H2,1-4H3/t42-,43-,44+,45+,47+,48+,49-,50+,51-,52+,54+,55+/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)CCCCCCCCCCCCCCCCCC)=O)[C@H](O)[C@@H](CO)O1 > - > - > - > - > - > - > 52929856 > - > - > - > - > - > 1773 > 21285232 $$$$