71494853 -OEChem-04232420272D 146151 0 1 0 0 0 0 0999 V2000 12.3048 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6098 10.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5728 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3125 16.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8260 15.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3048 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5728 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8407 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4388 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9747 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8407 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0369 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0369 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3048 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5728 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7068 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 12.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 11.0170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.5170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.0170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.0170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2059 11.0102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3298 9.4653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3418 10.5069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2020 12.0102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2298 8.9410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1178 10.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2424 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1299 9.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3341 12.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3140 13.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2100 14.0795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1101 12.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3798 8.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1141 13.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3048 7.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4739 11.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1900 11.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3673 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4657 9.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1875 11.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4700 12.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3601 14.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2142 15.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3392 15.1501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2423 7.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7490 6.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2725 15.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0702 14.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3393 15.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8259 16.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4388 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4388 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5728 4.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7068 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7068 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3048 3.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8407 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1709 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1709 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4388 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3048 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5728 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.5170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 8.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 11.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0763 10.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9692 8.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7299 10.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3201 11.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3457 8.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7395 9.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5879 13.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3169 11.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7213 12.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1775 9.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7678 8.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7245 13.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3254 14.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8424 7.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3000 10.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8002 11.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0800 11.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7577 7.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1515 7.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7777 10.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9299 10.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1536 9.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0822 11.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7985 11.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2928 12.4514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9319 12.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7473 14.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1623 13.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8246 15.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4255 15.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2471 7.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8623 7.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2376 8.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2145 6.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0632 6.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2836 7.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6679 16.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8697 16.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3864 14.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6035 14.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7540 15.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3297 15.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7194 15.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3489 14.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4388 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9757 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9942 17.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1097 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7068 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1698 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8418 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0358 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8407 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7078 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1709 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4378 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9019 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7679 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0369 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5738 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8418 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1097 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 8.9344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 9.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 9.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 8.9093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 10.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 7.4344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 8.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 10.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 11.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 10.8270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.3970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.3970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 6.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37 1 1 1 0 0 0 53 1 1 6 0 0 0 2 38 2 0 0 0 0 3 53 1 0 0 0 0 3 56 1 0 0 0 0 4 52 1 0 0 0 0 4117 1 0 0 0 0 5 52 2 0 0 0 0 54 6 1 6 0 0 0 58 6 1 1 0 0 0 55 7 1 1 0 0 0 7122 1 0 0 0 0 57 8 1 6 0 0 0 8123 1 0 0 0 0 9 58 1 0 0 0 0 9 62 1 0 0 0 0 10 59 1 0 0 0 0 10126 1 0 0 0 0 11 59 2 0 0 0 0 60 12 1 6 0 0 0 12129 1 0 0 0 0 61 13 1 1 0 0 0 13130 1 0 0 0 0 63 14 1 6 0 0 0 14131 1 0 0 0 0 15 64 1 0 0 0 0 15132 1 0 0 0 0 16 64 2 0 0 0 0 17 69 1 0 0 0 0 17142 1 0 0 0 0 18 69 2 0 0 0 0 19 67 1 0 0 0 0 19140 1 0 0 0 0 19141 1 0 0 0 0 20 68 1 0 0 0 0 20 70 2 0 0 0 0 21 70 1 0 0 0 0 21143 1 0 0 0 0 21144 1 0 0 0 0 22 70 1 0 0 0 0 22145 1 0 0 0 0 22146 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 23 28 1 0 0 0 0 23 39 1 1 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 24 35 1 0 0 0 0 24 41 1 1 0 0 0 25 38 1 0 0 0 0 25 71 1 6 0 0 0 26 31 1 0 0 0 0 26 34 1 0 0 0 0 26 42 1 6 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 72 1 6 0 0 0 28 30 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 29 37 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 32 1 0 0 0 0 31 43 2 0 0 0 0 32 33 1 0 0 0 0 32 44 1 0 0 0 0 32 77 1 1 0 0 0 33 36 1 0 0 0 0 33 45 1 0 0 0 0 33 50 1 1 0 0 0 34 36 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 40 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 36 82 1 0 0 0 0 36 83 1 0 0 0 0 37 40 1 0 0 0 0 37 84 1 0 0 0 0 38 43 1 0 0 0 0 39 85 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 40 88 1 0 0 0 0 40 89 1 0 0 0 0 41 90 1 0 0 0 0 41 91 1 0 0 0 0 41 92 1 0 0 0 0 42 93 1 0 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 43 96 1 0 0 0 0 44 46 1 0 0 0 0 44 97 1 0 0 0 0 44 98 1 0 0 0 0 45 49 1 0 0 0 0 45 99 1 0 0 0 0 45100 1 0 0 0 0 46 49 1 0 0 0 0 46 51 1 6 0 0 0 46 52 1 0 0 0 0 47101 1 0 0 0 0 47102 1 0 0 0 0 47103 1 0 0 0 0 48104 1 0 0 0 0 48105 1 0 0 0 0 48106 1 0 0 0 0 49107 1 0 0 0 0 49108 1 0 0 0 0 50109 1 0 0 0 0 50110 1 0 0 0 0 50111 1 0 0 0 0 51112 1 0 0 0 0 51113 1 0 0 0 0 51114 1 0 0 0 0 53 54 1 0 0 0 0 53115 1 0 0 0 0 54 55 1 0 0 0 0 54116 1 0 0 0 0 55 57 1 0 0 0 0 55118 1 0 0 0 0 56 57 1 0 0 0 0 56 59 1 1 0 0 0 56119 1 0 0 0 0 57120 1 0 0 0 0 58 60 1 0 0 0 0 58121 1 0 0 0 0 60 61 1 0 0 0 0 60124 1 0 0 0 0 61 63 1 0 0 0 0 61125 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 1 0 0 0 62127 1 0 0 0 0 63128 1 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 65133 1 0 0 0 0 65134 1 0 0 0 0 66 68 1 0 0 0 0 66135 1 0 0 0 0 66136 1 0 0 0 0 67 69 1 0 0 0 0 67137 1 0 0 0 0 68138 1 0 0 0 0 68139 1 0 0 0 0 M END > 71494853 > 1 > 1910 > 20 > 12 > 12 > AAADcfB/vgAAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADAAAAAHgAQCAAADzzxgAcDCAJABgCoAqDSLAIAAAEgAAAACIHAAEgTEBYAgQQiQAAFsAAPAQPa/fzPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid;2-amino-5-guanidino-pentanoic acid > (2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid;2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-14-keto-4,4,6a,6b,8a,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid;2-amino-5-guanidino-valeric acid > InChI=1S/C42H62O16.C6H14N4O2/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;7-4(5(11)12)2-1-3-10-6(8)9/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;/m0./s1 > PPWNUKBQIWUSEA-OOFFSTKBSA-N > 996.51546159 > C48H76N4O18 > 997.1 > CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.C(CC(C(=O)O)N)CN=C(N)N > C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O.C(CC(C(=O)O)N)CN=C(N)N > 395 > 996.51546159 > 0 > 70 > 19 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 37 1 5 53 1 6 60 12 6 61 13 5 63 14 6 67 19 3 23 39 5 24 41 5 25 71 6 26 42 6 27 72 6 32 77 5 33 50 5 46 51 6 56 59 5 54 6 6 58 6 5 62 64 5 55 7 5 57 8 6 $$$$