11672382 -OEChem-05062402562D 113124 0 0 0 0 0 0 0999 V2000 12.8197 -0.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4429 -3.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2044 1.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3588 -1.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8437 3.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4149 -0.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4814 -3.1892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8646 -1.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5461 -1.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3197 3.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6396 0.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3680 3.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3438 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6535 -1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5924 -1.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5348 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1529 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9290 -2.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6186 -1.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9556 -0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1613 -0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6476 -1.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0884 -1.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1232 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4808 -0.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0970 -0.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8438 1.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8438 1.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5284 0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5397 -3.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0650 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7149 0.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1186 -0.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 -1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6610 -0.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0217 0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5876 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5704 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9553 1.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3785 2.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3092 2.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0210 -2.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6600 -3.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5446 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9163 -0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8230 3.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5306 0.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8646 3.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5737 -0.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9613 -1.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8208 0.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4702 2.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3772 0.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6428 -1.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2954 -4.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1314 2.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2149 -2.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8338 3.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3924 -0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9407 -4.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9447 -2.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3197 3.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5461 0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8713 4.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4070 -4.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3540 -2.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8424 0.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5945 1.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9739 -0.9001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0295 0.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -2.1626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7079 -2.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4198 1.3436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9985 2.1563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5408 2.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6892 2.1563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2908 -1.6036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1532 -1.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9949 -0.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6822 -4.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2040 -5.4148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9086 -4.8930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7497 2.6011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0861 3.1742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5130 2.5105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6014 -2.3918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1258 -3.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8285 -2.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9208 2.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4477 3.3941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7468 3.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5232 -0.7301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9985 0.0066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2617 0.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 -4.3622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2255 -4.6282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4914 -3.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3267 -2.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9943 -3.2054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5627 -2.5377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4806 -1.8623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6614 -2.7203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5194 -2.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3173 4.5497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6997 3.9273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3221 3.3097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2845 -0.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1082 0.2363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8078 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4095 5.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5634 5.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3332 4.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 45 1 0 0 0 0 1 54 1 0 0 0 0 2 43 1 0 0 0 0 2 55 1 0 0 0 0 3 53 1 0 0 0 0 3 56 1 0 0 0 0 4 49 1 0 0 0 0 4 57 1 0 0 0 0 5 52 1 0 0 0 0 5 58 1 0 0 0 0 6 47 1 0 0 0 0 6 59 1 0 0 0 0 7 42 1 0 0 0 0 7 60 1 0 0 0 0 8 50 1 0 0 0 0 8 61 1 0 0 0 0 9 44 1 0 0 0 0 9 62 1 0 0 0 0 10 46 1 0 0 0 0 10 63 1 0 0 0 0 11 51 1 0 0 0 0 11 64 1 0 0 0 0 12 48 1 0 0 0 0 12 65 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 22 1 0 0 0 0 14 24 1 0 0 0 0 14 26 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 23 1 0 0 0 0 16 21 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 20 1 0 0 0 0 17 25 1 0 0 0 0 17 27 1 0 0 0 0 18 26 1 0 0 0 0 18 30 2 0 0 0 0 19 21 1 0 0 0 0 19 31 2 0 0 0 0 20 22 1 0 0 0 0 20 32 2 0 0 0 0 21 33 2 0 0 0 0 22 34 2 0 0 0 0 23 25 1 0 0 0 0 23 37 2 0 0 0 0 24 29 1 0 0 0 0 24 35 2 0 0 0 0 25 38 2 0 0 0 0 26 36 2 0 0 0 0 27 28 1 0 0 0 0 27 40 2 0 0 0 0 28 41 2 0 0 0 0 29 39 2 0 0 0 0 30 43 1 0 0 0 0 30 66 1 0 0 0 0 31 42 1 0 0 0 0 31 67 1 0 0 0 0 32 47 1 0 0 0 0 32 69 1 0 0 0 0 33 44 1 0 0 0 0 33 68 1 0 0 0 0 34 49 1 0 0 0 0 34 72 1 0 0 0 0 35 53 1 0 0 0 0 35 70 1 0 0 0 0 36 45 1 0 0 0 0 36 71 1 0 0 0 0 37 50 1 0 0 0 0 37 73 1 0 0 0 0 38 51 1 0 0 0 0 38 74 1 0 0 0 0 39 52 1 0 0 0 0 39 76 1 0 0 0 0 40 48 1 0 0 0 0 40 75 1 0 0 0 0 41 46 1 0 0 0 0 41 77 1 0 0 0 0 42 44 2 0 0 0 0 43 45 2 0 0 0 0 46 48 2 0 0 0 0 47 49 2 0 0 0 0 50 51 2 0 0 0 0 52 53 2 0 0 0 0 54 78 1 0 0 0 0 54 79 1 0 0 0 0 54 80 1 0 0 0 0 55 81 1 0 0 0 0 55 82 1 0 0 0 0 55 83 1 0 0 0 0 56 84 1 0 0 0 0 56 85 1 0 0 0 0 56 86 1 0 0 0 0 57 87 1 0 0 0 0 57 88 1 0 0 0 0 57 89 1 0 0 0 0 58 90 1 0 0 0 0 58 91 1 0 0 0 0 58 92 1 0 0 0 0 59 93 1 0 0 0 0 59 94 1 0 0 0 0 59 95 1 0 0 0 0 60 96 1 0 0 0 0 60 97 1 0 0 0 0 60 98 1 0 0 0 0 61 99 1 0 0 0 0 61100 1 0 0 0 0 61101 1 0 0 0 0 62102 1 0 0 0 0 62103 1 0 0 0 0 62104 1 0 0 0 0 63105 1 0 0 0 0 63106 1 0 0 0 0 63107 1 0 0 0 0 64108 1 0 0 0 0 64109 1 0 0 0 0 64110 1 0 0 0 0 65111 1 0 0 0 0 65112 1 0 0 0 0 65113 1 0 0 0 0 M END > 11672382 > 1 > 1360 > 12 > 0 > 12 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAYMGDBgwYMGDAAAYMGABVAAAGgAAAAAADgSAmAIyBoAABACAAiBCAAACCAAgIAAAiAAGiIgNJiKEMBqAMCIkwBEKqAeAwPAPoAABAAAQQABAAAIAACCAAQAACAAAAA== > 4,5,11,12,18,19,25,26,31,32,38,39-dodecamethoxydodecacyclo[13.13.6.68,22.115,22.02,7.09,14.016,21.023,28.029,34.01,35.08,35.036,41]hentetraconta-2,4,6,9,11,13,16,18,20,23,25,27,29,31,33,36,38,40-octadecaene > 4,5,11,12,18,19,25,26,31,32,38,39-dodecamethoxydodecacyclo[13.13.6.68,22.115,22.02,7.09,14.016,21.023,28.029,34.01,35.08,35.036,41]hentetraconta-2,4,6,9,11,13,16,18,20,23,25,27,29,31,33,36,38,40-octadecaene > 4,5,11,12,18,19,25,26,31,32,38,39-dodecamethoxydodecacyclo[13.13.6.68,22.115,22.02,7.09,14.016,21.023,28.029,34.01,35.08,35.036,41]hentetraconta-2,4,6,9,11,13,16,18,20,23,25,27,29,31,33,36,38,40-octadecaene > 4,5,11,12,18,19,25,26,31,32,38,39-dodecamethoxydodecacyclo[13.13.6.68,22.115,22.02,7.09,14.016,21.023,28.029,34.01,35.08,35.036,41]hentetraconta-2,4,6,9,11,13,16,18,20,23,25,27,29,31,33,36,38,40-octadecaene > 4,5,11,12,18,19,25,26,31,32,38,39-dodecamethoxydodecacyclo[13.13.6.68,22.115,22.02,7.09,14.016,21.023,28.029,34.01,35.08,35.036,41]hentetraconta-2,4,6,9,11,13,16,18,20,23,25,27,29,31,33,36,38,40-octadecaene > 4,5,11,12,18,19,25,26,31,32,38,39-dodecamethoxydodecacyclo[13.13.6.68,22.115,22.02,7.09,14.016,21.023,28.029,34.01,35.08,35.036,41]hentetraconta-2,4,6,9,11,13,16,18,20,23,25,27,29,31,33,36,38,40-octadecaene > InChI=1S/C53H48O12/c1-54-37-13-25-26(14-38(37)55-2)50-31-19-43(60-7)45(62-9)21-33(31)51-29-17-41(58-5)39(56-3)15-27(29)49(25)28-16-40(57-4)42(59-6)18-30(28)52(53(49,50)51,34-22-46(63-10)44(61-8)20-32(34)50)36-24-48(65-12)47(64-11)23-35(36)51/h13-24H,1-12H3 > LXPKSJKSUJBWIK-UHFFFAOYSA-N > 8.8 > 876.31457696 > C53H48O12 > 876.9 > COC1=C(C=C2C(=C1)C34C5=CC(=C(C=C5C67C38C2(C9=CC(=C(C=C96)OC)OC)C1=CC(=C(C=C1C8(C1=CC(=C(C=C41)OC)OC)C1=CC(=C(C=C71)OC)OC)OC)OC)OC)OC)OC > COC1=C(C=C2C(=C1)C34C5=CC(=C(C=C5C67C38C2(C9=CC(=C(C=C96)OC)OC)C1=CC(=C(C=C1C8(C1=CC(=C(C=C41)OC)OC)C1=CC(=C(C=C71)OC)OC)OC)OC)OC)OC)OC > 111 > 876.31457696 > 0 > 65 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 18 26 8 18 30 8 19 21 8 19 31 8 20 22 8 20 32 8 21 33 8 22 34 8 23 25 8 23 37 8 24 29 8 24 35 8 25 38 8 26 36 8 27 28 8 27 40 8 28 41 8 29 39 8 30 43 8 31 42 8 32 47 8 33 44 8 34 49 8 35 53 8 36 45 8 37 50 8 38 51 8 39 52 8 40 48 8 41 46 8 42 44 8 43 45 8 46 48 8 47 49 8 50 51 8 52 53 8 $$$$