Mrv1572004261620292D 161166 0 0 1 0 999 V2000 -8.5737 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7932 5.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5925 19.8032 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 7.8592 4.5375 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 7.8592 5.3625 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 7.1447 5.7750 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 7.1447 6.6000 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 6.4302 7.0125 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 6.4302 7.8375 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 5.7158 8.2500 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 -2.1434 15.2625 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 -1.4289 15.6750 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 -0.7145 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 -0.0000 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 0.7145 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 2.1434 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 2.8579 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5716 7.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7137 17.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7914 7.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9335 17.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 14.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9807 5.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1228 19.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 12.7875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 14.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 13.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0413 6.8428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1834 17.9072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6039 7.2725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7460 17.4775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7171 11.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1460 9.4875 0.0000 C 0 0 2 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 10.0026 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 0 0 0 0 0 0 0 0 0 0 13.2288 6.9860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3709 17.7640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1342 7.9045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2763 16.8455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4315 11.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8605 9.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8592 14.4375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1447 14.0250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5749 10.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0026 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 2 0 0 0 0 0 0 0 0 0 7.8592 15.2625 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 12.9467 7.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0888 16.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 9.4875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7171 15.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4315 13.2000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4302 14.4375 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 9.2881 15.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1019 8.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2440 16.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 8.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4315 16.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6985 6.3540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8406 18.3960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 14.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5093 8.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4032 17.9662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 10.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 16.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 12.7875 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 12.4504 4.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9353 19.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3235 6.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4656 18.6825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8861 6.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0282 18.2527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 15.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8520 8.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9941 16.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 10.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 8.2500 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 7.1447 13.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 10.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 16.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3841 9.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6322 7.7613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7743 16.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5262 15.5815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 14.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 14.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 11.5500 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 11.4315 14.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4770 8.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6191 16.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 15.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 11.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 13.2000 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 5.0013 13.6125 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 13.5110 6.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6531 18.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3217 8.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4638 16.7022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 11.1375 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 7.8592 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 13.7591 7.6180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9012 17.1320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4164 7.1293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5585 17.6207 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 12.1460 8.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 9.9000 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 11.4315 12.3750 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 11.4315 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3633 8.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5054 16.4054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 8.6625 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 12.1460 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 13.6125 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 9.5703 16.0377 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 0 0 0 0 56 41 1 1 0 0 0 57 42 1 1 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 68 67 1 0 0 0 0 71 49 1 0 0 0 0 71 65 1 0 0 0 0 72 58 1 0 0 0 0 72 67 1 0 0 0 0 73 59 1 0 0 0 0 74 61 1 0 0 0 0 74 63 1 0 0 0 0 75 62 1 0 0 0 0 75 64 1 0 0 0 0 76 66 1 0 0 0 0 76 69 1 0 0 0 0 77 70 1 0 0 0 0 77 73 1 0 0 0 0 78 49 1 0 0 0 0 79 68 1 0 0 0 0 80 69 1 0 0 0 0 81 70 1 0 0 0 0 84 37 1 0 0 0 0 84 82 1 1 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 6 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 1 0 0 0 52 99 1 6 0 0 0 53100 1 1 0 0 0 54101 1 1 0 0 0 55102 1 6 0 0 0 60103 1 4 0 0 0 63104 1 6 0 0 0 64105 1 1 0 0 0 65106 1 1 0 0 0 66107 1 1 0 0 0 67108 1 6 0 0 0 68109 1 1 0 0 0 69110 1 6 0 0 0 70111 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 57 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 71121 1 6 0 0 0 80121 1 1 0 0 0 72122 1 6 0 0 0 81122 1 1 0 0 0 73123 1 1 0 0 0 78123 1 1 0 0 0 124 74 1 0 0 0 0 124 84 1 0 0 0 0 125 75 1 0 0 0 0 125 85 1 0 0 0 0 76126 1 1 0 0 0 84126 1 6 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 1 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 6 0 0 0 58139 1 1 0 0 0 59140 1 6 0 0 0 61141 1 6 0 0 0 62142 1 1 0 0 0 63143 1 6 0 0 0 64144 1 1 0 0 0 65145 1 6 0 0 0 66146 1 6 0 0 0 67147 1 1 0 0 0 68148 1 6 0 0 0 69149 1 1 0 0 0 70150 1 1 0 0 0 71151 1 6 0 0 0 72152 1 6 0 0 0 73153 1 6 0 0 0 154 74 1 0 0 0 0 155 75 1 0 0 0 0 76156 1 6 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 > CHEM040483 > chemdb > [H]\C(CCCCCCCCCCCCC)=C(/[H])C([H])(O)C([H])(COC1([H])OC([H])(CO)C([H])(OC2([H])OC([H])(CO)C([H])(OC3([H])OC([H])(CO)C([H])(O)C([H])(OC4([H])OC([H])(CO)C([H])(O)C([H])(OC5(CC([H])(O)C([H])(N=C(C)O)C([H])(O5)C([H])(O)C([H])(O)CO)C(O)=O)C4([H])O)C3([H])CC(C)=O)C([H])(OC3(CC([H])(O)C([H])(N=C(C)O)C([H])(O3)C([H])(O)C([H])(O)CO)C(O)=O)C2([H])O)C([H])(O)C1([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(103)88-50(51(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-116-79-68(109)67(108)72(58(43-93)119-79)122-81-70(111)77(127-85(83(114)115)38-53(100)62(87-48(5)97)75(125-85)64(105)55(102)40-90)73(59(44-94)120-81)123-78-49(36-46(3)95)71(65(106)56(41-91)117-78)121-80-69(110)76(66(107)57(42-92)118-80)126-84(82(112)113)37-52(99)61(86-47(4)96)74(124-84)63(104)54(101)39-89/h32,34,49-59,61-81,89-94,98-102,104-111H,6-31,33,35-45H2,1-5H3,(H,86,96)(H,87,97)(H,88,103)(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 > YLNLPKZVAGTLKY-MTRFFKBHSA-N > C85H149N3O39 > 1837.109 > 1835.97682199 > 42 > 276 > 197.80131412321717 > 0 > 24 > 0 > 0 > (2S,4S,5R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4R,5R,6R)-2-{[(2R,3S,4R,5R,6S)-4-{[(2S,4S,5R)-2-carboxy-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-6-{[(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}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 1.70 > 2.230992029964836 > -4.10 > 1 > 6 > -2 > 3.2404335169726064 > 2.7542089180881404 > 2.26172427015178 > 684.5700000000005 > 439.6685999999995 > 60 > 0 > 1.45e-01 g/l > (2S,4S,5R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4R,5R,6R)-2-{[(2R,3S,4R,5R,6S)-4-{[(2S,4S,5R)-2-carboxy-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-6-{[(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}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 0 > Ganglioside GD1a (d18:1/20:0) $$$$