44581018 -OEChem-05052406202D 152160 0 1 0 0 0 0 0999 V2000 7.1833 -3.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5736 -1.6041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0450 -6.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3067 0.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6438 -9.8286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4529 -7.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3651 -11.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7611 12.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9830 -7.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5201 11.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6093 -6.8675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1127 -6.0034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0900 -6.2151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3765 -3.1950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3804 -2.1950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5652 -3.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1916 -1.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8706 -4.7357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8863 -0.6542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8706 -4.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8863 -0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4552 -5.5470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3017 0.1570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4502 -5.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7119 1.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0348 -6.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1272 1.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0297 -6.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6144 -6.9682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5375 2.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -7.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9528 3.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2092 -7.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3631 4.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7990 -8.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7784 5.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2756 -7.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1887 6.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1907 -7.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8041 -8.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0548 -7.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 7.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3938 -9.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9227 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 7.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4529 -9.2408 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.5868 -8.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7868 -7.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4296 8.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2619 -9.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3989 -10.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3189 -8.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5868 -7.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6929 -7.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6929 -9.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7868 -8.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9529 -10.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3189 -7.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8399 9.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9529 -10.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2128 -9.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2574 -10.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2128 -7.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1537 -11.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2552 10.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1189 -8.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6265 -11.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1189 -7.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9971 -12.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2552 10.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5679 11.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9499 11.4526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 11.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6207 -2.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6215 -2.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2573 -3.2415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9979 -4.0296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4996 -2.1485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7590 -1.3603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 -4.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2751 0.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2636 -4.8585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9330 -5.3487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4932 -0.5315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8239 -0.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8384 -5.6094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0473 -0.4084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0085 -5.1767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -4.8497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2246 0.7203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1443 1.5133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4765 -6.5272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2034 -6.8542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6146 2.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6948 1.4360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5880 -5.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8612 -5.5603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4281 -6.5214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9442 0.5593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8688 -6.4028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0502 2.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9699 3.2366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1585 -8.4985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8052 -8.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4402 3.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5204 3.1592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2549 -7.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6082 -7.8285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8758 4.1668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7955 4.9598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7534 -9.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -9.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2658 5.6755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 4.8825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1443 -8.2192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7013 5.8901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6211 6.6831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8497 -8.3752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2031 -8.8412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6544 -8.1867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4515 -8.1898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0914 7.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1716 6.6057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3482 -10.5238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9948 -10.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3231 -6.7433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5260 -6.7402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5269 7.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4467 8.4063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9169 9.1220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9972 8.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3365 -9.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7820 -10.0686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4613 -10.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7001 -6.5862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7001 -9.8954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2511 -9.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3525 9.3366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2723 10.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2057 -9.8954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6909 -9.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2057 -6.5862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6985 -12.2227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6546 -9.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2369 -11.3547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1881 -12.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8888 10.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8552 12.0654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9806 -6.5967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1939 12.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4111 11.9592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8061 11.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 2 15 1 0 0 0 0 2 19 1 0 0 0 0 22 3 1 6 0 0 0 3 98 1 0 0 0 0 23 4 1 6 0 0 0 4 99 1 0 0 0 0 5 46 1 0 0 0 0 5 60 1 0 0 0 0 6 53 1 0 0 0 0 6 58 1 0 0 0 0 7 60 2 0 0 0 0 8 71 1 0 0 0 0 8 72 1 0 0 0 0 9 68 1 0 0 0 0 9149 1 0 0 0 0 10 71 2 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 74 1 6 0 0 0 15 17 1 0 0 0 0 15 75 1 1 0 0 0 16 20 1 0 0 0 0 16 76 1 0 0 0 0 16 77 1 0 0 0 0 17 21 1 0 0 0 0 17 78 1 0 0 0 0 17 79 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 80 1 6 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 19 81 1 1 0 0 0 20 82 1 0 0 0 0 20 83 1 0 0 0 0 21 84 1 0 0 0 0 21 85 1 0 0 0 0 22 24 1 0 0 0 0 22 86 1 0 0 0 0 23 25 1 0 0 0 0 23 87 1 0 0 0 0 24 26 1 0 0 0 0 24 88 1 0 0 0 0 24 89 1 0 0 0 0 25 27 1 0 0 0 0 25 90 1 0 0 0 0 25 91 1 0 0 0 0 26 28 1 0 0 0 0 26 92 1 0 0 0 0 26 93 1 0 0 0 0 27 30 1 0 0 0 0 27 94 1 0 0 0 0 27 95 1 0 0 0 0 29 28 1 6 0 0 0 28 96 1 0 0 0 0 28 97 1 0 0 0 0 29 31 1 0 0 0 0 29100 1 0 0 0 0 30 32 1 0 0 0 0 30101 1 0 0 0 0 30102 1 0 0 0 0 31 33 1 0 0 0 0 31103 1 0 0 0 0 31104 1 0 0 0 0 32 34 1 0 0 0 0 32105 1 0 0 0 0 32106 1 0 0 0 0 33 35 1 0 0 0 0 33107 1 0 0 0 0 33108 1 0 0 0 0 34 36 1 0 0 0 0 34109 1 0 0 0 0 34110 1 0 0 0 0 35 40 1 0 0 0 0 35111 1 0 0 0 0 35112 1 0 0 0 0 36 38 1 0 0 0 0 36113 1 0 0 0 0 36114 1 0 0 0 0 37 39 2 0 0 0 0 37115 1 0 0 0 0 38 42 1 0 0 0 0 38116 1 0 0 0 0 38117 1 0 0 0 0 39 41 1 0 0 0 0 40 43 1 0 0 0 0 40118 1 0 0 0 0 40119 1 0 0 0 0 41 44 1 0 0 0 0 41120 1 0 0 0 0 41121 1 0 0 0 0 42 45 1 0 0 0 0 42122 1 0 0 0 0 42123 1 0 0 0 0 43 51 1 0 0 0 0 43124 1 0 0 0 0 43125 1 0 0 0 0 44 48 1 0 0 0 0 44126 1 0 0 0 0 44127 1 0 0 0 0 45 49 1 0 0 0 0 45128 1 0 0 0 0 45129 1 0 0 0 0 46 47 1 0 0 0 0 46 50 1 0 0 0 0 46 52 1 0 0 0 0 47 53 2 0 0 0 0 47 55 1 0 0 0 0 48 54 2 0 0 0 0 48 56 1 0 0 0 0 49 59 1 0 0 0 0 49130 1 0 0 0 0 49131 1 0 0 0 0 50 57 1 0 0 0 0 50 62 2 0 0 0 0 51132 1 0 0 0 0 51133 1 0 0 0 0 51134 1 0 0 0 0 52 58 2 0 0 0 0 52 61 1 0 0 0 0 53 54 1 0 0 0 0 54135 1 0 0 0 0 55 56 2 0 0 0 0 55136 1 0 0 0 0 56137 1 0 0 0 0 57 60 1 0 0 0 0 57 64 2 0 0 0 0 58 63 1 0 0 0 0 59 65 1 0 0 0 0 59138 1 0 0 0 0 59139 1 0 0 0 0 61 66 2 0 0 0 0 61140 1 0 0 0 0 62 67 1 0 0 0 0 62141 1 0 0 0 0 63 68 2 0 0 0 0 63142 1 0 0 0 0 64 69 1 0 0 0 0 64143 1 0 0 0 0 65 70 2 0 0 0 0 65 71 1 0 0 0 0 66 68 1 0 0 0 0 66144 1 0 0 0 0 67 69 2 0 0 0 0 67145 1 0 0 0 0 69146 1 0 0 0 0 70 72 1 0 0 0 0 70147 1 0 0 0 0 72 73 1 6 0 0 0 72148 1 0 0 0 0 73150 1 0 0 0 0 73151 1 0 0 0 0 73152 1 0 0 0 0 M END > 44581018 > 1 > 1750 > 12 > 3 > 28 > AAADcfB/PAAAAAAAAAAAAAAAAAAAAWJEiRA0YMEAAAAAAEiR1AAAHgAICAAADHzhngY+jpIIBgCqAzT3TAACDAQ1sgAY2AE+eMgNdzLGtRqWeSClwBXL+Yea+P+O4AABCAAYAADAAAIQADAAAAAAAAAAAA== > 3'-hydroxy-6'-[2-[1-[(1R)-1-[(4S)-4-hydroxy-4-[(2R,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxy-12-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]dodecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]butyl]heptyl]triazol-4-yl]ethyl]spiro[isobenzofuran-3,9'-xanthene]-1-one > 3'-hydroxy-6'-[2-[1-[(1S,5R)-1-hydroxy-1-[(2R,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxy-12-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]dodecyl]-2-oxolanyl]-2-oxolanyl]undecan-5-yl]-4-triazolyl]ethyl]-1-spiro[isobenzofuran-3,9'-xanthene]one > 3'-hydroxy-6'-[2-[1-[(1S,5R)-1-hydroxy-1-[(2R,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxy-12-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]dodecyl]oxolan-2-yl]oxolan-2-yl]undecan-5-yl]triazol-4-yl]ethyl]spiro[2-benzofuran-3,9'-xanthene]-1-one > 3'-hydroxy-6'-[2-[1-[(1S,5R)-1-hydroxy-1-[(2R,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxy-12-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]dodecyl]oxolan-2-yl]oxolan-2-yl]undecan-5-yl]triazol-4-yl]ethyl]spiro[2-benzofuran-3,9'-xanthene]-1-one > 3'-[2-[1-[(1S,5R)-1-[(2R,5S)-5-[(2R,5S)-5-[(1R)-12-[(2S)-2-methyl-5-oxidanylidene-2H-furan-4-yl]-1-oxidanyl-dodecyl]oxolan-2-yl]oxolan-2-yl]-1-oxidanyl-undecan-5-yl]-1,2,3-triazol-4-yl]ethyl]-6'-oxidanyl-spiro[2-benzofuran-3,9'-xanthene]-1-one > 3'-hydroxy-6'-[2-[1-[(1R)-1-[(4S)-4-hydroxy-4-[(2R,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxy-12-[(2S)-5-keto-2-methyl-2H-furan-4-yl]dodecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]butyl]heptyl]triazol-4-yl]ethyl]spiro[phthalan-3,9'-xanthene]-1-one > InChI=1S/C60H79N3O10/c1-3-4-5-14-20-44(63-39-43(61-62-63)28-26-41-27-30-48-56(37-41)72-57-38-45(64)29-31-49(57)60(48)47-23-17-16-22-46(47)59(68)73-60)21-18-25-51(66)53-33-35-55(71-53)54-34-32-52(70-54)50(65)24-15-12-10-8-6-7-9-11-13-19-42-36-40(2)69-58(42)67/h16-17,22-23,27,29-31,36-40,44,50-55,64-66H,3-15,18-21,24-26,28,32-35H2,1-2H3/t40-,44+,50+,51-,52-,53+,54+,55-,60?/m0/s1 > RSZNCXDOWDWXNA-HQKVTFRRSA-N > 13.1 > 1001.57654573 > C60H79N3O10 > 1002.3 > CCCCCCC(CCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCCC3=CC(OC3=O)C)O)O)N4C=C(N=N4)CCC5=CC6=C(C=C5)C7(C8=C(O6)C=C(C=C8)O)C9=CC=CC=C9C(=O)O7 > CCCCCC[C@H](CCC[C@@H]([C@H]1CC[C@H](O1)[C@H]2CC[C@H](O2)[C@@H](CCCCCCCCCCCC3=C[C@@H](OC3=O)C)O)O)N4C=C(N=N4)CCC5=CC6=C(C=C5)C7(C8=C(O6)C=C(C=C8)O)C9=CC=CC=C9C(=O)O7 > 172 > 1001.57654573 > 0 > 73 > 8 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 12 8 11 37 8 12 13 8 13 39 8 14 74 6 15 75 5 18 80 6 19 81 5 29 28 6 22 3 6 37 39 8 23 4 6 46 50 3 47 53 8 47 55 8 48 54 8 48 56 8 50 57 8 50 62 8 52 58 8 52 61 8 53 54 8 55 56 8 57 64 8 58 63 8 61 66 8 62 67 8 63 68 8 64 69 8 66 68 8 67 69 8 72 73 6 $$$$