71492752 -OEChem-04262402102D 157162 0 1 0 0 0 0 0999 V2000 15.1882 7.3620 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 10.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8747 16.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3882 15.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3221 7.8620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9920 9.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9202 10.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8580 7.8620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3843 9.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5183 7.8620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1882 9.3620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7240 10.3620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7862 8.8620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7681 11.0102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8920 9.4653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9040 10.5069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7643 12.0102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7920 8.9410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6801 10.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8046 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6921 9.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8963 12.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8762 13.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7722 14.0795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6723 12.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9421 8.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6763 13.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0361 11.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 11.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9295 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0279 9.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7497 11.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0322 12.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9223 14.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7764 15.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9014 15.1501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8046 7.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3113 6.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8347 15.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6324 14.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9015 15.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3881 16.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1350 4.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2690 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2690 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 3.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4030 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7331 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0010 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1350 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5901 8.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4561 9.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7240 9.3620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0542 8.8620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3221 8.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0542 7.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9202 9.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8580 8.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6523 9.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5183 8.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6385 10.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5314 8.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2921 10.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8824 11.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9079 8.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3017 9.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1502 13.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8791 11.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2836 12.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 9.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 8.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2868 13.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8876 14.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3295 7.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8623 10.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3624 11.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6422 11.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3199 7.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7137 7.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 10.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4922 10.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7158 9.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6444 11.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3607 11.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8550 12.4514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4941 12.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3095 14.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7246 13.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3869 15.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9877 15.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8094 7.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4246 7.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7998 8.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7767 6.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6254 6.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8458 7.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2302 16.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4319 16.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9486 14.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1658 14.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3162 15.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 15.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2816 15.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9111 14.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5565 17.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1915 8.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9886 8.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8546 9.8369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0576 9.8369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2610 9.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0542 9.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1882 9.9820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2662 7.2794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6648 7.9697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1871 10.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2610 10.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7862 8.2420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0508 9.8369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2537 9.8369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1882 6.7420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4551 9.0520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9212 9.0520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 74 1 0 0 0 0 1155 1 0 0 0 0 41 2 1 1 0 0 0 57 2 1 6 0 0 0 3 42 2 0 0 0 0 4 57 1 0 0 0 0 4 60 1 0 0 0 0 5 56 1 0 0 0 0 5125 1 0 0 0 0 6 56 2 0 0 0 0 58 7 1 6 0 0 0 62 7 1 1 0 0 0 59 8 1 1 0 0 0 8130 1 0 0 0 0 61 9 1 6 0 0 0 9131 1 0 0 0 0 10 62 1 0 0 0 0 10 66 1 0 0 0 0 11 63 1 0 0 0 0 11134 1 0 0 0 0 12 63 2 0 0 0 0 64 13 1 6 0 0 0 13137 1 0 0 0 0 65 14 1 1 0 0 0 14138 1 0 0 0 0 67 15 1 6 0 0 0 15139 1 0 0 0 0 16 68 1 0 0 0 0 16140 1 0 0 0 0 17 68 2 0 0 0 0 18 73 2 0 0 0 0 19 76 1 0 0 0 0 19156 1 0 0 0 0 20 75 2 0 0 0 0 21 76 2 0 0 0 0 22 78 1 0 0 0 0 22157 1 0 0 0 0 23 78 2 0 0 0 0 72 24 1 6 0 0 0 24 73 1 0 0 0 0 24147 1 0 0 0 0 71 25 1 6 0 0 0 25150 1 0 0 0 0 25151 1 0 0 0 0 26 75 1 0 0 0 0 26 77 1 0 0 0 0 26152 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 32 1 0 0 0 0 27 43 1 1 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 28 39 1 0 0 0 0 28 45 1 1 0 0 0 29 42 1 0 0 0 0 29 79 1 6 0 0 0 30 35 1 0 0 0 0 30 38 1 0 0 0 0 30 46 1 6 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 31 80 1 6 0 0 0 32 34 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 33 41 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 35 36 1 0 0 0 0 35 47 2 0 0 0 0 36 37 1 0 0 0 0 36 48 1 0 0 0 0 36 85 1 1 0 0 0 37 40 1 0 0 0 0 37 49 1 0 0 0 0 37 54 1 1 0 0 0 38 40 1 0 0 0 0 38 86 1 0 0 0 0 38 87 1 0 0 0 0 39 44 1 0 0 0 0 39 88 1 0 0 0 0 39 89 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 41 44 1 0 0 0 0 41 92 1 0 0 0 0 42 47 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 43 95 1 0 0 0 0 44 96 1 0 0 0 0 44 97 1 0 0 0 0 45 98 1 0 0 0 0 45 99 1 0 0 0 0 45100 1 0 0 0 0 46101 1 0 0 0 0 46102 1 0 0 0 0 46103 1 0 0 0 0 47104 1 0 0 0 0 48 50 1 0 0 0 0 48105 1 0 0 0 0 48106 1 0 0 0 0 49 53 1 0 0 0 0 49107 1 0 0 0 0 49108 1 0 0 0 0 50 53 1 0 0 0 0 50 55 1 6 0 0 0 50 56 1 0 0 0 0 51109 1 0 0 0 0 51110 1 0 0 0 0 51111 1 0 0 0 0 52112 1 0 0 0 0 52113 1 0 0 0 0 52114 1 0 0 0 0 53115 1 0 0 0 0 53116 1 0 0 0 0 54117 1 0 0 0 0 54118 1 0 0 0 0 54119 1 0 0 0 0 55120 1 0 0 0 0 55121 1 0 0 0 0 55122 1 0 0 0 0 57 58 1 0 0 0 0 57123 1 0 0 0 0 58 59 1 0 0 0 0 58124 1 0 0 0 0 59 61 1 0 0 0 0 59126 1 0 0 0 0 60 61 1 0 0 0 0 60 63 1 1 0 0 0 60127 1 0 0 0 0 61128 1 0 0 0 0 62 64 1 0 0 0 0 62129 1 0 0 0 0 64 65 1 0 0 0 0 64132 1 0 0 0 0 65 67 1 0 0 0 0 65133 1 0 0 0 0 66 67 1 0 0 0 0 66 68 1 1 0 0 0 66135 1 0 0 0 0 67136 1 0 0 0 0 69 70 1 0 0 0 0 69 71 1 0 0 0 0 69141 1 0 0 0 0 69142 1 0 0 0 0 70 73 1 0 0 0 0 70143 1 0 0 0 0 70144 1 0 0 0 0 71 76 1 0 0 0 0 71145 1 0 0 0 0 72 74 1 0 0 0 0 72 75 1 0 0 0 0 72146 1 0 0 0 0 74148 1 0 0 0 0 74149 1 0 0 0 0 77 78 1 0 0 0 0 77153 1 0 0 0 0 77154 1 0 0 0 0 M END > 71492752 > 1 > 2120 > 24 > 14 > 16 > AAADcfB/PgBAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADAAAAAHgQQCAAADzz1wAeCCALABgSIAqHSGAIAAAAgAAAACIHIAEgTUBYAgSQ2QAAFtgCfAQPe//7PgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > (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;(2R)-2-amino-5-[[(1R)-2-(carboxymethylamino)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-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;(2R)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-mercapto-1-oxopropan-2-yl]amino]-5-oxopentanoic 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;(2R)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic 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;(2R)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic 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;(2R)-2-azanyl-5-[[(2R)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-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;(2R)-2-amino-5-[[(1R)-2-(carboxymethylamino)-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid > InChI=1S/C42H62O16.C10H17N3O6S/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;11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;5-,6+/m01/s1 > UXLOINXWXWPRQO-NPDIWPJYSA-N > 1129.48759233 > C52H79N3O22S > 1130.3 > 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(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)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(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@H](C(=O)O)N > 427 > 1129.48759233 > 0 > 78 > 21 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 64 13 6 65 14 5 67 15 6 41 2 5 57 2 6 72 24 6 71 25 6 27 43 5 28 45 5 29 79 6 30 46 6 31 80 6 36 85 5 37 54 5 50 55 6 60 63 5 66 68 5 58 7 6 62 7 5 59 8 5 61 9 6 $$$$