LMGL02050003 LIPID_MAPS_STRUCTURE_DATABASE 94 94 0 0 0 999 V2000 8.4059 7.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8566 8.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3471 9.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7977 10.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2883 11.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2678 9.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2335 10.1558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5293 11.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3660 11.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2026 11.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0393 11.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8758 11.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7125 11.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 11.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3856 11.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2223 11.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0590 11.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8955 11.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7320 11.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5687 11.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4053 11.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2420 11.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0786 11.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2446 9.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0812 9.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9176 9.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7542 9.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5909 9.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4274 9.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2641 9.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1008 9.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9375 9.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7740 9.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6107 9.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4471 9.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2836 9.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1206 9.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9570 9.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2026 12.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5489 12.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8955 12.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2420 12.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9176 10.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2641 10.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6107 10.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9570 10.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2449 9.7062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.2659 12.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.0043 9.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1675 9.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3311 9.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4944 9.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6579 9.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8212 9.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9845 9.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1480 9.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3113 9.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4746 9.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6380 9.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8017 9.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9650 9.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1283 9.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2916 9.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4549 9.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6742 9.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2890 11.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4524 11.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6157 11.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7792 11.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9427 11.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1060 11.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2696 11.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4329 11.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5962 11.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7595 11.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9230 11.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0864 11.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2497 11.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4130 11.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5764 11.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7397 11.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3311 8.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9845 8.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6380 8.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2916 8.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6157 10.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2696 10.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9230 10.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5764 10.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6757 8.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.6451 11.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0651 10.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9887 9.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0180 10.9421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 3 7 1 1 0 0 0 3 6 1 6 0 0 0 8 5 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 38 37 1 0 0 0 0 6 24 1 0 0 0 0 10 39 1 6 0 0 0 14 40 1 6 0 0 0 18 41 1 6 0 0 0 22 42 1 6 0 0 0 26 43 1 6 0 0 0 30 44 1 6 0 0 0 34 45 1 6 0 0 0 38 46 1 6 0 0 0 49 47 1 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 53 52 1 0 0 0 0 54 53 1 0 0 0 0 55 54 1 0 0 0 0 56 55 1 0 0 0 0 57 56 1 0 0 0 0 58 57 1 0 0 0 0 59 58 1 0 0 0 0 60 59 1 0 0 0 0 61 60 1 0 0 0 0 62 61 1 0 0 0 0 63 62 1 0 0 0 0 64 63 1 0 0 0 0 67 66 1 0 0 0 0 68 67 1 0 0 0 0 69 68 1 0 0 0 0 70 69 1 0 0 0 0 71 70 1 0 0 0 0 72 71 1 0 0 0 0 73 72 1 0 0 0 0 74 73 1 0 0 0 0 75 74 1 0 0 0 0 76 75 1 0 0 0 0 77 76 1 0 0 0 0 78 77 1 0 0 0 0 79 78 1 0 0 0 0 80 79 1 0 0 0 0 81 80 1 0 0 0 0 48 66 1 0 0 0 0 51 82 1 6 0 0 0 55 83 1 6 0 0 0 59 84 1 6 0 0 0 63 85 1 6 0 0 0 64 65 1 0 0 0 0 68 86 1 6 0 0 0 72 87 1 6 0 0 0 76 88 1 6 0 0 0 80 89 1 6 0 0 0 38 65 1 0 0 0 0 23 81 1 0 0 0 0 90 93 1 0 0 0 0 48 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 94 1 1 0 0 0 92 47 1 6 0 0 0 M END > LMGL02050003 > Isocaldarchaeol > > C86H172O6 > 1301.32 > Glycerolipids [GL] > Diradylglycerols [GL02] > Di-glycerol tetraethers [GL0205] > - > > KRZOPRPKWLRJOC-VSKUYQNDSA-N > InChI=1S/C86H172O6/c1-69-29-17-33-73(5)41-25-49-81(13)57-61-89-67-85(65-87)91-63-59-83(15)51-27-43-75(7)35-19-31-71(3)39-23-47-79(11)55-56-80(12)48-24-40-72(4)32-20-36-76(8)44-28-52-84(16)60-64-92-86(66-88)68-90-62-58-82(14)50-26-42-74(6)34-18-30-70(2)38-22-46-78(10)54-53-77(9)45-21-37-69/h69-88H,17-68H2,1-16H3/t69-,70-,71-,72-,73+,74+,75+,76+,77-,78-,79-,80-,81+,82+,83+,84+,85-,86+/m0/s1 > OC[C@]1(OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO[C@@]([H])(CO)COCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC1)C)[H] > - > - > - > - > - > - > 42607379 > - > - > - > - > - > 2303 > 16306681 $$$$