71296113 -OEChem-03282416592D 154157 0 1 0 0 0 0 0999 V2000 10.6261 5.6766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4043 2.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3713 1.4190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0982 5.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.7357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 8.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0470 5.4093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3770 3.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8082 3.3530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0565 2.1047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.7357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 7.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3188 3.1890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 9.7357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5605 0.9073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1264 8.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.2357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.7357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.7357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.2357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9782 2.0803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.7357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8874 1.3555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 9.7357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.7357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1374 4.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1261 4.8106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5312 3.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.2357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1290 6.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5228 7.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5341 7.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8442 2.5803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 6.7357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 6.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.7357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 5.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.7357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 5.2357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4081 3.4062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 5.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1463 2.3215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 3.7357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4392 3.0286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4392 3.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.2357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1122 2.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1289 -7.0096 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 8.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8360 -7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3877 -6.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5772 -8.6826 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8200 4.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6806 -5.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9394 -4.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8282 6.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2323 -3.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1630 -7.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2843 -9.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4911 -2.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6112 -8.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7840 -1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 9.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5946 0.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0428 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3357 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0255 -10.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6546 7.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7679 6.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4206 8.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5340 7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3603 8.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2412 4.2362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1383 5.3275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5209 4.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7887 5.3307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8967 3.4019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0677 4.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0891 5.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5925 7.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7636 6.4019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1393 7.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 8.3275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6628 8.4170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9445 8.0023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2663 3.2036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2002 7.1607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9323 4.3107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 3.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 8.3557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 4.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6270 2.8261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 6.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2461 5.6766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9782 1.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 4.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5847 1.8831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2165 4.0801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8311 2.9076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9761 3.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 3.6274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4633 6.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9684 -7.6085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 7.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 8.3433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3979 -7.9788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1916 -7.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9496 -6.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7433 -5.5358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -9.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3849 4.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0753 4.8824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2550 4.5728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1187 -5.0746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -5.8445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2886 1.1951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5013 -4.6327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2950 -3.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6704 -3.4015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8767 -4.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0025 -6.6696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5641 -7.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3234 -7.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8462 -9.6518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6399 -8.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 8.8557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3570 5.9463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5445 2.5618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0530 -2.9596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8468 -2.1898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4508 -8.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0124 -9.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7717 -9.5403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2221 -1.7285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4284 -2.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7272 2.7383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6048 -1.2866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3985 -0.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4418 2.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7738 -0.0555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9801 -0.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8722 7.6386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4266 -10.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8650 -10.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6243 -10.5162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0720 8.0753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8756 5.9259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 10.3557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 9.4257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3130 9.1166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1166 6.9672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0187 9.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27 1 1 1 0 0 0 1 96 1 0 0 0 0 2 33 2 0 0 0 0 3 34 2 0 0 0 0 4 37 2 0 0 0 0 5 39 2 0 0 0 0 40 6 1 1 0 0 0 6128 1 0 0 0 0 41 7 1 1 0 0 0 7129 1 0 0 0 0 42 8 1 6 0 0 0 8130 1 0 0 0 0 45 9 1 1 0 0 0 9138 1 0 0 0 0 46 10 1 1 0 0 0 10141 1 0 0 0 0 11 43 2 0 0 0 0 48 12 1 1 0 0 0 12144 1 0 0 0 0 13 49 2 0 0 0 0 14 65 2 0 0 0 0 15 66 2 0 0 0 0 16 74 1 0 0 0 0 16154 1 0 0 0 0 17 25 1 0 0 0 0 17 28 1 0 0 0 0 17 34 1 0 0 0 0 18 29 1 0 0 0 0 18 31 1 0 0 0 0 18 37 1 0 0 0 0 19 33 1 0 0 0 0 19 38 1 0 0 0 0 19 91 1 0 0 0 0 20 36 1 0 0 0 0 20 43 1 0 0 0 0 20 95 1 0 0 0 0 21 35 1 0 0 0 0 21 49 1 0 0 0 0 21 97 1 0 0 0 0 22 39 1 0 0 0 0 22 45 1 0 0 0 0 22 98 1 0 0 0 0 44 23 1 1 0 0 0 23 66 1 0 0 0 0 23118 1 0 0 0 0 24 65 1 0 0 0 0 24150 1 0 0 0 0 24151 1 0 0 0 0 25 26 1 0 0 0 0 25 33 1 0 0 0 0 25 75 1 1 0 0 0 26 27 1 0 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 27 28 1 0 0 0 0 27 78 1 0 0 0 0 28 79 1 0 0 0 0 28 80 1 0 0 0 0 29 30 1 0 0 0 0 29 39 1 0 0 0 0 29 81 1 1 0 0 0 30 32 1 0 0 0 0 30 82 1 0 0 0 0 30 83 1 0 0 0 0 31 32 1 0 0 0 0 31 84 1 0 0 0 0 31 85 1 0 0 0 0 32 86 1 0 0 0 0 32 87 1 0 0 0 0 34 35 1 0 0 0 0 35 42 1 0 0 0 0 35 88 1 6 0 0 0 36 37 1 0 0 0 0 36 40 1 0 0 0 0 36 89 1 1 0 0 0 38 41 1 0 0 0 0 38 43 1 0 0 0 0 38 90 1 1 0 0 0 40 51 1 0 0 0 0 40 92 1 0 0 0 0 41 48 1 0 0 0 0 41 93 1 0 0 0 0 42 55 1 0 0 0 0 42 94 1 0 0 0 0 44 47 1 0 0 0 0 44 49 1 0 0 0 0 44 99 1 0 0 0 0 45 46 1 0 0 0 0 45100 1 0 0 0 0 46 47 1 0 0 0 0 46101 1 0 0 0 0 47102 1 0 0 0 0 47103 1 0 0 0 0 48 58 1 0 0 0 0 48104 1 0 0 0 0 50 52 1 0 0 0 0 50 53 1 0 0 0 0 50 60 1 0 0 0 0 50105 1 0 0 0 0 51 65 1 0 0 0 0 51106 1 0 0 0 0 51107 1 0 0 0 0 52 54 1 0 0 0 0 52108 1 0 0 0 0 52109 1 0 0 0 0 53 56 1 0 0 0 0 53110 1 0 0 0 0 53111 1 0 0 0 0 54 61 1 0 0 0 0 54 63 1 0 0 0 0 54112 1 0 0 0 0 55113 1 0 0 0 0 55114 1 0 0 0 0 55115 1 0 0 0 0 56 57 1 0 0 0 0 56116 1 0 0 0 0 56117 1 0 0 0 0 57 59 1 0 0 0 0 57119 1 0 0 0 0 57120 1 0 0 0 0 58 70 2 0 0 0 0 58 71 1 0 0 0 0 59 62 1 0 0 0 0 59121 1 0 0 0 0 59122 1 0 0 0 0 60123 1 0 0 0 0 60124 1 0 0 0 0 60125 1 0 0 0 0 61 69 1 0 0 0 0 61126 1 0 0 0 0 61127 1 0 0 0 0 62 64 1 0 0 0 0 62131 1 0 0 0 0 62132 1 0 0 0 0 63133 1 0 0 0 0 63134 1 0 0 0 0 63135 1 0 0 0 0 64 67 1 0 0 0 0 64136 1 0 0 0 0 64137 1 0 0 0 0 66 68 1 0 0 0 0 67 68 1 0 0 0 0 67139 1 0 0 0 0 67140 1 0 0 0 0 68142 1 0 0 0 0 68143 1 0 0 0 0 69145 1 0 0 0 0 69146 1 0 0 0 0 69147 1 0 0 0 0 70 72 1 0 0 0 0 70148 1 0 0 0 0 71 73 2 0 0 0 0 71149 1 0 0 0 0 72 74 2 0 0 0 0 72152 1 0 0 0 0 73 74 1 0 0 0 0 73153 1 0 0 0 0 M END > 71296113 > 1 > 1890 > 16 > 14 > 20 > AAADcfB//gAAAAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAAAAABAAAAHgAQCAAADTzhmAYyBoPAAgCIAiFSEAACAAAgIAAIiIGOCIkLdjaCkTKUcAAm9hGZmAe+/+aOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S)-3-[(1S)-3-amino-1-hydroxy-3-oxo-propyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21-trihydroxy-15-[(1S)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyl-tetradecanamide > N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S)-3-[(1S)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21-trihydroxy-15-[(1S)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide > N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S)-3-[(1S)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21-trihydroxy-15-[(1S)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide > N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S)-3-[(1S)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21-trihydroxy-15-[(1S)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide > N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S)-3-[(1S)-3-azanyl-1-oxidanyl-3-oxidanylidene-propyl]-6-[(1S,2S)-2-(4-hydroxyphenyl)-1,2-bis(oxidanyl)ethyl]-11,20,21-tris(oxidanyl)-15-[(1S)-1-oxidanylethyl]-2,5,8,14,17,23-hexakis(oxidanylidene)-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyl-tetradecanamide > N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S)-3-[(1S)-3-amino-1-hydroxy-3-keto-propyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21-trihydroxy-15-[(1S)-1-hydroxyethyl]-2,5,8,14,17,23-hexaketo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyl-myristamide > InChI=1S/C50H80N8O16/c1-5-26(2)21-27(3)13-10-8-6-7-9-11-15-38(65)52-32-23-36(63)47(71)56-45(69)33-14-12-20-57(33)50(74)40(35(62)24-37(51)64)54-48(72)41(43(67)42(66)29-16-18-30(60)19-17-29)55-46(70)34-22-31(61)25-58(34)49(73)39(28(4)59)53-44(32)68/h16-19,26-28,31-36,39-43,47,59-63,66-67,71H,5-15,20-25H2,1-4H3,(H2,51,64)(H,52,65)(H,53,68)(H,54,72)(H,55,70)(H,56,69)/t26?,27?,28-,31+,32-,33-,34-,35-,36+,39-,40-,41-,42-,43-,47+/m0/s1 > ORMHYXJRIFDYQC-STDXDALQSA-N > 1.4 > 1048.56922849 > C50H80N8O16 > 1049.2 > CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CC(=O)N)O)O)O > CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@H](CC(=O)N)O)O)O > 391 > 1048.56922849 > 0 > 74 > 13 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 27 1 5 46 10 5 48 12 5 44 23 5 25 75 5 29 81 5 35 88 6 36 89 5 38 90 5 50 60 3 54 63 3 58 70 8 58 71 8 40 6 5 41 7 5 70 72 8 71 73 8 72 74 8 73 74 8 42 8 6 45 9 5 $$$$