LMSL03001284 LIPID_MAPS_STRUCTURE_DATABASE 92 93 0 0 0 999 V2000 -1.7947 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7947 3.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6313 2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7976 -0.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7976 -1.2555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6545 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3682 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0819 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9387 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7956 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6524 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5092 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3661 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2229 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0798 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9366 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7934 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6503 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5071 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3640 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2208 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0776 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9345 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7913 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.6481 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.5050 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.3618 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.2187 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.0755 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.9323 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -24.7892 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.6460 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -26.5029 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -27.3597 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -28.2165 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -29.0734 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -29.9302 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -30.7871 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6545 0.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3682 0.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0819 0.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7956 0.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5092 0.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2229 0.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9366 0.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6503 0.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3640 0.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0776 0.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9345 -1.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4881 2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 2.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2018 2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0586 2.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9155 2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7723 2.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6292 2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4860 2.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3428 2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1997 2.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0565 2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9133 2.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7702 2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6270 2.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5327 5.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 7.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7203 6.7140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 4.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9003 5.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7927 4.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4504 5.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0964 6.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0794 5.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4216 5.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4048 4.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8931 1.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0342 0.1644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9565 0.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6704 2.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3534 0.6885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6704 2.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1023 1.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 0.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5293 0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0974 1.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0929 1.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2421 3.6211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9969 5.1660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6104 5.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3095 4.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5368 4.7241 0.0000 O 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 4 5 2 0 0 0 0 4 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 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 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 6 41 1 6 0 0 0 8 42 1 6 0 0 0 10 43 1 6 0 0 0 12 44 1 6 0 0 0 14 45 1 6 0 0 0 16 46 1 6 0 0 0 18 47 1 6 0 0 0 20 48 1 6 0 0 0 22 49 1 6 0 0 0 24 50 1 6 0 0 0 25 51 1 0 0 0 0 3 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 64 65 1 0 0 0 0 70 76 1 0 0 0 75 69 1 0 0 0 69 71 1 0 0 0 71 72 1 0 0 0 72 73 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 1 0 0 72 66 1 6 0 0 73 67 1 1 0 0 74 68 1 6 0 0 81 87 1 0 0 0 86 80 1 0 0 0 80 82 1 0 0 0 82 83 1 0 0 0 83 84 1 0 0 0 84 85 1 0 0 0 85 86 1 0 0 0 86 87 1 6 0 0 83 77 1 1 0 0 84 78 1 6 0 0 85 79 1 1 0 0 82 88 1 1 0 0 71 88 1 6 0 0 89 90 2 0 0 0 0 89 91 2 0 0 0 0 89 92 1 0 0 0 0 66 89 1 0 0 0 0 77 1 1 0 0 0 0 78 4 1 0 0 0 0 M END > LMSL03001284 > AC2SGL(16:0/36:0(2Me[S],4Me[S],6Me[S],8Me[S],10Me[S],12Me[R],14Me[R],16Me[R],18Me[R],20Me[R],21OH)) > 2-O-hexadecanoyl,3-O-(2S,4S,6S,8R,10R,12R,14R,16R,18R,20R-decamethyl)-21-hydroxy-hexatriacontanoyl)-2'-sulfotrehalose > C74H142O17S > 1335.00 > Saccharolipids [SL] > Acyltrehaloses [SL03] > > - > > AQVSKZOTVGCLBI-NDGZBOIMSA-N > InChI=1S/C74H142O17S/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-39-62(77)60(11)48-58(9)46-56(7)44-54(5)42-52(3)41-53(4)43-55(6)45-57(8)47-59(10)49-61(12)72(82)89-69-67(80)64(51-76)87-74(90-73-70(91-92(83,84)85)68(81)66(79)63(50-75)86-73)71(69)88-65(78)40-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h52-64,66-71,73-77,79-81H,13-51H2,1-12H3,(H,83,84,85)/t52-,53+,54-,55+,56-,57+,58-,59+,60-,61+,62?,63-,64-,66-,67-,68+,69+,70-,71-,73-,74-/m1/s1 > C(O[C@@H]1[C@@H](OC([C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C(O)CCCCCCCCCCCCCCC)=O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@H](OS(O)(=O)=O)[C@@H](O)[C@H](O)[C@@H](CO)O1)(CCCCCCCCCCCCCCC)=O > - > - > - > - > - > - > 178335729 > - > - > - > - > - > 1773 > 21285232 $$$$