LMSL03000005 LIPID_MAPS_STRUCTURE_DATABASE 65 66 0 0 0 999 V2000 20.1127 -6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1127 -7.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2497 -6.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3870 -6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5239 -6.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6612 -6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7983 -6.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9355 -6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0727 -6.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2097 -6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3470 -6.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4841 -6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6212 -6.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7585 -6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8954 -6.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0327 -6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1699 -6.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4442 -6.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5813 -6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7185 -6.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8557 -6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2497 -5.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5239 -5.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2888 -0.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6657 0.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7698 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7647 -2.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0323 -0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7071 -1.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3410 -0.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0322 -0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0838 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4503 -1.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5022 -1.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9032 -4.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8225 -6.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9523 -6.5653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6464 -3.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4473 -5.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5763 -3.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9686 -4.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4305 -5.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4954 -5.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1033 -4.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1685 -4.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1180 -2.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0535 -4.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0535 -3.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2745 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4116 -4.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5485 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6856 -4.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8230 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9601 -4.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0972 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2344 -4.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3715 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5086 -4.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6459 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7830 -4.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9200 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0573 -4.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1945 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0897 -6.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 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 3 23 1 6 0 0 0 5 24 1 6 0 0 0 29 35 1 0 0 0 34 28 1 0 0 0 28 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 1 0 0 31 25 1 6 0 0 32 26 1 1 0 0 33 27 1 6 0 0 40 46 1 0 0 0 45 39 1 0 0 0 39 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 44 38 1 1 0 0 41 47 1 1 0 0 30 47 1 6 0 0 48 49 2 0 0 0 0 48 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 36 48 1 0 0 0 0 37 1 1 0 0 0 0 22 65 1 0 0 0 M END > LMSL03000005 > DAT(16:0/22:0(2Me[S],4Me[S])) > 2-O-hexadecanoyl-3-O-(2S,4S-dimethyl-docosanoyl)-alpha,alpha-trehalose > C52H98O13 > 930.70 > Saccharolipids [SL] > Acyltrehaloses [SL03] > > - > > - > - > - > - > - > - > - > - > - > 52929842 > - > - > Active (generated by computational methods) > - > https://lipidmaps.org/databases/lmsd/LMSL03000005 $$$$