16156539 -OEChem-05211316322D 108142 0 1 0 0 0 0 0999 V2000 4.8524 -2.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0967 3.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5774 1.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2187 -1.1909 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3526 -0.6909 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6215 2.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3524 -1.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4647 2.2143 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9786 0.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 1.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0847 -0.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3526 0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0847 0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2187 0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 -2.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 -1.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3764 2.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8470 3.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8847 0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9786 -1.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7126 -2.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6209 1.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8316 3.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3654 2.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2228 -2.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8558 0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8847 -0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4346 1.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 -2.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4346 -2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8192 2.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8011 4.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8524 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3151 3.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1844 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8364 3.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4207 -1.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4212 2.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4010 -3.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 -0.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6139 -3.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4037 -2.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9720 0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9356 5.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0687 -2.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 1.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8961 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0100 4.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6182 -4.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7403 -1.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6352 -3.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8983 4.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9498 5.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8572 -5.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 0.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3018 -3.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1798 1.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5438 -4.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8731 3.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8548 -4.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8845 -2.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6818 -3.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7984 -4.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8109 -4.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8569 -3.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2777 -2.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0693 -3.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8376 0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9487 -3.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2820 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8640 -3.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4745 -0.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7363 -3.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3986 -1.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4903 -3.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8145 -2.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0608 -2.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4402 -1.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0927 -2.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2406 -2.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8509 2.4367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1664 1.4638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1624 -3.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7379 3.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7050 -3.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -2.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7564 1.8609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8188 1.1290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5470 -4.0666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3273 -3.1688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4556 1.0468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3457 0.6190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5460 -4.4584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0316 -3.3726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8879 0.0647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7016 -0.0220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6157 -4.5430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7648 -3.3628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0161 -1.0007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8558 -0.7389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9131 -3.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2377 -2.4689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5972 -2.7730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0899 -1.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 2 0 0 0 0 2 36 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 23 1 0 0 0 0 7 35 1 0 0 0 0 8 26 1 0 0 0 0 8 36 1 0 0 0 0 9 13 1 0 0 0 0 9 19 2 0 0 0 0 10 14 1 0 0 0 0 10 20 2 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 15 27 2 0 0 0 0 15 31 1 0 0 0 0 16 28 1 0 0 0 0 16 32 2 0 0 0 0 17 24 1 0 0 0 0 17 33 2 0 0 0 0 18 25 1 0 0 0 0 18 34 2 0 0 0 0 19 24 1 0 0 0 0 19 29 1 0 0 0 0 20 25 1 0 0 0 0 20 30 1 0 0 0 0 21 27 1 0 0 0 0 21 29 2 0 0 0 0 22 28 2 0 0 0 0 22 30 1 0 0 0 0 23 58 1 0 0 0 0 23 83 1 0 0 0 0 23 84 1 0 0 0 0 24 37 2 0 0 0 0 25 38 2 0 0 0 0 26 59 1 0 0 0 0 26 85 1 0 0 0 0 26 86 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 29 39 1 0 0 0 0 30 40 2 0 0 0 0 31 32 1 0 0 0 0 31 43 2 0 0 0 0 32 44 1 0 0 0 0 33 34 1 0 0 0 0 33 45 1 0 0 0 0 34 46 1 0 0 0 0 35 87 1 0 0 0 0 36 88 1 0 0 0 0 37 39 1 0 0 0 0 37 49 1 0 0 0 0 38 40 1 0 0 0 0 38 50 1 0 0 0 0 39 47 2 0 0 0 0 40 48 1 0 0 0 0 41 47 1 0 0 0 0 41 51 2 0 0 0 0 42 48 1 0 0 0 0 42 52 2 0 0 0 0 43 51 1 0 0 0 0 43 53 1 0 0 0 0 44 52 1 0 0 0 0 44 53 2 0 0 0 0 45 49 2 0 0 0 0 45 54 1 0 0 0 0 46 50 2 0 0 0 0 46 55 1 0 0 0 0 47 56 1 0 0 0 0 48 57 2 0 0 0 0 49 60 1 0 0 0 0 50 61 1 0 0 0 0 51 62 1 0 0 0 0 52 63 1 0 0 0 0 53 64 1 0 0 0 0 54 55 2 0 0 0 0 54 65 1 0 0 0 0 55 66 1 0 0 0 0 56 60 1 0 0 0 0 56 62 2 0 0 0 0 57 61 1 0 0 0 0 57 63 1 0 0 0 0 58 71 1 0 0 0 0 58 89 1 0 0 0 0 58 90 1 0 0 0 0 59 72 1 0 0 0 0 59 91 1 0 0 0 0 59 92 1 0 0 0 0 60 65 2 0 0 0 0 61 66 2 0 0 0 0 62 67 1 0 0 0 0 63 68 2 0 0 0 0 64 67 2 0 0 0 0 64 68 1 0 0 0 0 65 69 1 0 0 0 0 66 70 1 0 0 0 0 67 69 1 0 0 0 0 68 70 1 0 0 0 0 69 70 2 0 0 0 0 71 73 1 0 0 0 0 71 93 1 0 0 0 0 71 94 1 0 0 0 0 72 74 1 0 0 0 0 72 95 1 0 0 0 0 72 96 1 0 0 0 0 73 75 1 0 0 0 0 73 97 1 0 0 0 0 73 98 1 0 0 0 0 74 76 1 0 0 0 0 74 99 1 0 0 0 0 74100 1 0 0 0 0 75 77 1 0 0 0 0 75101 1 0 0 0 0 75102 1 0 0 0 0 76 78 1 0 0 0 0 76103 1 0 0 0 0 76104 1 0 0 0 0 77 79 2 0 0 0 0 77 80 1 0 0 0 0 78 81 2 0 0 0 0 78 82 1 0 0 0 0 79 81 1 0 0 0 0 79105 1 0 0 0 0 80 82 2 0 0 0 0 80106 1 0 0 0 0 81107 1 0 0 0 0 82108 1 0 0 0 0 M END > 16156539 > 1 > 4580 > 2 > 0 > 2 > AAADceB8MAAAAAAAAAAAAAAAGDAAAYMGDBAwYMGDBggAAAABVAAAGgAAAAAADgCgmAIwAMAAAACIAihSgAACAAAgAAAIiAEAAIgIIDKAERCAIAAggAAIiAcIiMCPwAACAAAQAACAAAQAACAAAQAACAAAAA== > InChI=1S/C80H26O2/c81-15-75-13-5-1-3-7-17-9-11-18(12-10-17)8-4-2-6-14-76(16-82)78-69-55-47-36-28-21-19-20-22-27(21)40(47)48-37-29(22)26-31-24(20)33-32-23(19)30-25(28)34-41-49-38(30)43(32)53-54-44(33)39(31)50-42-35(26)46(37)58-62-52(42)64-60(50)68(54)77(75)67(53)59(49)63-51(41)61(57(69)45(34)36)71(78)65-66(74(64)80(75,77)73(63)65)72(62)79(76,78)70(58)56(48)55/h9-12,15-16H,1-8,13-14H2 > QFXQOOIJEDXMOK-UHFFFAOYSA-N > 16.1 > 1018.19328 > C80H26O2 > 1019.06124 > C1CCC2=CC=C(CCCCCC3(C45C36C7=C8C9=C3C%10=C%11C9=C9C%12=C%13C%14=C%15C(=C6C8=C9%14)C6=C4C4=C8C5=C5C7=C3C3=C5C5=C8C7=C8C5=C5C3=C%10C3=C5C5=C8C8=C9C5=C5C3=C%11C%12=C5C3=C%13C5%10C%15(C6=C6C4=C7C8=C6C5=C93)C%10(CC1)C=O)C=O)C=C2 > C1CCC2=CC=C(CCCCCC3(C45C36C7=C8C9=C3C%10=C%11C9=C9C%12=C%13C%14=C%15C(=C6C8=C9%14)C6=C4C4=C8C5=C5C7=C3C3=C5C5=C8C7=C8C5=C5C3=C%10C3=C5C5=C8C8=C9C5=C5C3=C%11C%12=C5C3=C%13C5%10C%15(C6=C6C4=C7C8=C6C5=C93)C%10(CC1)C=O)C=O)C=C2 > 34.1 > 1018.19328 > 0 > 82 > 0 > 3 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 14 8 10 20 8 11 13 8 11 21 8 12 14 8 12 22 8 13 14 8 15 27 8 15 31 8 16 28 8 16 32 8 17 24 8 17 33 8 18 25 8 18 34 8 19 24 8 19 29 8 20 25 8 20 30 8 21 27 8 21 29 8 22 28 8 22 30 8 24 37 8 25 38 8 27 41 8 28 42 8 29 39 8 30 40 8 31 32 8 31 43 8 32 44 8 33 34 8 33 45 8 34 46 8 37 39 8 37 49 8 38 40 8 38 50 8 39 47 8 4 15 3 40 48 8 41 47 8 41 51 8 42 48 8 42 52 8 43 51 8 43 53 8 44 52 8 44 53 8 45 49 8 45 54 8 46 50 8 46 55 8 47 56 8 48 57 8 49 60 8 5 16 3 50 61 8 51 62 8 52 63 8 53 64 8 54 55 8 54 65 8 55 66 8 56 60 8 56 62 8 57 61 8 57 63 8 60 65 8 61 66 8 62 67 8 63 68 8 64 67 8 64 68 8 65 69 8 66 70 8 67 69 8 68 70 8 69 70 8 77 79 8 77 80 8 78 81 8 78 82 8 79 81 8 8 36 3 80 82 8 9 13 8 9 19 8 $$$$