Mrv1572004261620492D 161166 0 0 1 0 999 V2000 -10.0026 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 14.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4995 21.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8780 21.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 14.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4066 19.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9992 18.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7211 19.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3137 19.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 14.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9692 20.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4083 20.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 14.0250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 15.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 14.4375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5941 20.1222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4689 19.1447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0032 18.2262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4315 10.7250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0026 13.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0315 18.7150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4302 16.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2881 15.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0638 19.4902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6565 19.0015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8157 18.0830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1460 10.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7171 12.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5618 18.0830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8605 10.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1447 15.6750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8605 11.5500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4302 15.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2881 16.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4315 13.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1447 16.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0026 15.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3460 18.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3743 18.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 16.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7171 14.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7158 15.6750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1460 11.9625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5737 16.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4032 19.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5295 17.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 19.2037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7171 17.7375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2514 19.6335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1262 19.6335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 15.6750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9086 19.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 11.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7834 20.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 18.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 14.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 13.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1567 20.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2208 20.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 14.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3120 20.8974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7511 19.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4729 17.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 14.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0979 17.3077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 11.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2797 17.3077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 11.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 14.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 17.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1177 19.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4032 20.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0598 18.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8117 16.8190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 14.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 16.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 15.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 16.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2191 18.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1585 18.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9046 17.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 16.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 12.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7817 20.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9386 19.7767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5335 18.8582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 9.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 12.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8440 18.8582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 17.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8763 19.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1868 18.3695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2854 17.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 9.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 12.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7494 17.9397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 11.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 16.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 11.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 16.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 16.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 16.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2971 17.8914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7909 17.6429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 17.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 12.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8558 17.2752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 20 1 0 0 0 0 22 19 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 2 0 0 0 0 35 33 1 0 0 0 0 46 3 1 0 0 0 0 46 36 1 0 0 0 0 47 4 1 4 0 0 0 48 5 1 4 0 0 0 49 36 1 6 0 0 0 50 45 1 0 0 0 0 51 34 1 0 0 0 0 51 50 1 0 0 0 0 52 37 1 0 0 0 0 53 38 1 0 0 0 0 54 39 1 0 0 0 0 55 40 1 1 0 0 0 56 41 1 1 0 0 0 57 42 1 0 0 0 0 58 43 1 6 0 0 0 59 44 1 1 0 0 0 60 35 1 0 0 0 0 61 52 1 0 0 0 0 62 53 1 0 0 0 0 63 54 1 0 0 0 0 64 55 1 0 0 0 0 65 56 1 0 0 0 0 66 57 1 0 0 0 0 67 64 1 0 0 0 0 69 67 1 0 0 0 0 70 68 1 0 0 0 0 72 49 1 0 0 0 0 72 65 1 0 0 0 0 73 58 1 0 0 0 0 73 68 1 0 0 0 0 74 59 1 0 0 0 0 75 61 1 0 0 0 0 75 63 1 0 0 0 0 76 62 1 0 0 0 0 76 66 1 0 0 0 0 77 71 1 0 0 0 0 77 74 1 0 0 0 0 78 49 1 0 0 0 0 79 70 1 0 0 0 0 80 69 1 0 0 0 0 81 71 1 0 0 0 0 84 37 1 0 0 0 0 84 82 1 6 0 0 0 85 38 1 0 0 0 0 85 83 1 6 0 0 0 86 47 2 0 0 0 0 61 86 1 1 0 0 0 87 48 2 0 0 0 0 62 87 1 1 0 0 0 50 88 1 6 0 0 0 88 60 2 0 0 0 0 89 39 1 0 0 0 0 90 40 1 0 0 0 0 91 41 1 0 0 0 0 92 42 1 0 0 0 0 93 43 1 0 0 0 0 94 44 1 0 0 0 0 95 46 2 0 0 0 0 96 47 1 0 0 0 0 97 48 1 0 0 0 0 51 98 1 6 0 0 0 52 99 1 1 0 0 0 53100 1 1 0 0 0 54101 1 1 0 0 0 60102 1 4 0 0 0 63103 1 6 0 0 0 64104 1 1 0 0 0 65105 1 1 0 0 0 66106 1 6 0 0 0 67107 1 6 0 0 0 68108 1 6 0 0 0 69109 1 6 0 0 0 70110 1 1 0 0 0 71111 1 1 0 0 0 112 82 2 0 0 0 0 113 82 1 0 0 0 0 114 83 2 0 0 0 0 115 83 1 0 0 0 0 116 45 1 0 0 0 0 79116 1 6 0 0 0 117 56 1 0 0 0 0 117 78 1 0 0 0 0 118 55 1 0 0 0 0 118 80 1 0 0 0 0 119 58 1 0 0 0 0 119 79 1 0 0 0 0 120 59 1 0 0 0 0 120 81 1 0 0 0 0 72121 1 6 0 0 0 80121 1 1 0 0 0 73122 1 6 0 0 0 81122 1 1 0 0 0 74123 1 1 0 0 0 78123 1 1 0 0 0 57124 1 1 0 0 0 84124 1 1 0 0 0 125 75 1 0 0 0 0 125 84 1 0 0 0 0 126 76 1 0 0 0 0 126 85 1 0 0 0 0 77127 1 1 0 0 0 85127 1 1 0 0 0 128 32 1 0 0 0 0 129 34 1 0 0 0 0 49130 1 1 0 0 0 50131 1 6 0 0 0 51132 1 1 0 0 0 52133 1 6 0 0 0 53134 1 6 0 0 0 54135 1 1 0 0 0 55136 1 6 0 0 0 56137 1 6 0 0 0 57138 1 1 0 0 0 58139 1 1 0 0 0 59140 1 6 0 0 0 61141 1 1 0 0 0 62142 1 1 0 0 0 63143 1 1 0 0 0 64144 1 6 0 0 0 65145 1 6 0 0 0 66146 1 1 0 0 0 67147 1 6 0 0 0 68148 1 1 0 0 0 69149 1 1 0 0 0 70150 1 6 0 0 0 71151 1 1 0 0 0 72152 1 6 0 0 0 73153 1 6 0 0 0 74154 1 6 0 0 0 155 75 1 0 0 0 0 156 76 1 0 0 0 0 77157 1 6 0 0 0 78158 1 6 0 0 0 79159 1 1 0 0 0 80160 1 6 0 0 0 81161 1 6 0 0 0 M END > CHEM040503 > chemdb > [H]C(CCCCCCCCCCCCC)=C([H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])CC(C)=O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@@]([H])(CO)O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCC > InChI=1S/C85H149N3O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(102)88-50(51(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-116-79-70(110)68(108)73(58(43-93)119-79)122-81-71(111)77(74(59(44-94)120-81)123-78-49(36-46(3)95)72(65(105)56(41-91)117-78)121-80-69(109)67(107)64(104)55(40-90)118-80)127-85(83(114)115)38-53(100)62(87-48(5)97)76(126-85)66(106)57(42-92)124-84(82(112)113)37-52(99)61(86-47(4)96)75(125-84)63(103)54(101)39-89/h32,34,49-59,61-81,89-94,98-101,103-111H,6-31,33,35-45H2,1-5H3,(H,86,96)(H,87,97)(H,88,102)(H,112,113)(H,114,115)/b34-32-/t49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64+,65+,66-,67+,68-,69-,70-,71-,72-,73-,74+,75?,76?,77-,78+,79-,80+,81+,84-,85+/m1/s1 > NQLDTTCWDNHHFF-YJKCNMNRSA-N > C85H149N3O39 > 1837.109 > 1835.97682199 > 42 > 276 > 197.5792029401655 > 0 > 24 > 0 > 0 > (2S,4S,5R)-2-{[(1S,2R)-1-[(3R,4S,6S)-6-carboxy-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R,4Z)-3-hydroxy-2-[(1-hydroxyoctadecylidene)amino]octadec-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-3-hydroxy-5-{[(2S,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-3-[(1-hydroxyethylidene)amino]oxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 1.66 > 2.204270806326298 > -4.10 > 1 > 6 > -2 > 3.211066562528773 > 2.702244662007754 > 2.2049591041437053 > 684.5700000000005 > 439.6685999999995 > 60 > 0 > 1.48e-01 g/l > (2S,4S,5R)-2-{[(1S,2R)-1-[(3R,4S,6S)-6-carboxy-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R,4Z)-3-hydroxy-2-[(1-hydroxyoctadecylidene)amino]octadec-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-3-hydroxy-5-{[(2S,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-3-[(1-hydroxyethylidene)amino]oxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 0 > Ganglioside GD1b (d18:1/18:0) $$$$