22835161 -OEChem-05211315372D 114148 0 1 0 0 0 0 0999 V2000 5.2901 -8.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8037 9.4319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5046 -7.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0477 7.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0161 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0590 0.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1951 4.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2756 4.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3533 7.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8253 6.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9513 -0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 0.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1391 2.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0093 3.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9457 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2234 1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4393 5.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8877 5.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5271 7.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6465 7.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5147 7.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6065 6.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9486 -0.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4288 1.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1902 0.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3668 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 5.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6791 8.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8009 6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2627 4.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2859 1.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 2.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8408 -1.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2932 2.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6904 0.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8691 2.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8227 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2056 2.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5467 3.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6396 3.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4879 6.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0158 5.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7316 8.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1327 6.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0072 -1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5226 2.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7783 7.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5526 5.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9129 -1.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4236 2.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0391 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6217 2.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4086 4.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4142 3.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2353 4.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0286 9.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2473 5.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1452 -2.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6461 3.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0582 1.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3992 3.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1113 -2.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0226 4.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8284 -3.4061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6269 3.9188 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2141 -2.2044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0226 4.6940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8306 -3.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9486 4.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9214 -2.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9914 4.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5799 -4.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3216 5.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6162 -4.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2930 -4.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3117 5.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7046 6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3655 -5.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0422 -5.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6847 6.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0776 7.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0785 -6.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0677 7.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8278 -7.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4407 8.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5408 -7.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4307 8.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0032 -9.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7937 9.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -4.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4769 3.9245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6014 -2.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1726 4.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5671 -3.4210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0050 5.5567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1741 -4.1305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8904 -4.8339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6942 5.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0908 6.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 -5.6987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4843 -6.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2985 6.7358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6951 7.7824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2637 -6.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4765 -7.7133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4612 8.9829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8340 8.4911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5684 -10.0149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4452 -10.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4379 -9.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8811 8.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4075 9.6602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7064 10.1866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 87 1 0 0 0 0 1 89 1 0 0 0 0 2 88 1 0 0 0 0 2 90 1 0 0 0 0 3 87 2 0 0 0 0 4 88 2 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 14 2 0 0 0 0 6 15 1 0 0 0 0 6 16 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 17 2 0 0 0 0 8 14 1 0 0 0 0 8 18 2 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 9 21 1 0 0 0 0 10 18 1 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 11 23 1 0 0 0 0 12 16 1 0 0 0 0 12 24 1 0 0 0 0 13 37 2 0 0 0 0 14 38 1 0 0 0 0 15 33 2 0 0 0 0 16 34 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 28 1 0 0 0 0 20 22 1 0 0 0 0 20 29 1 0 0 0 0 21 43 2 0 0 0 0 22 44 2 0 0 0 0 23 25 1 0 0 0 0 23 45 2 0 0 0 0 24 26 1 0 0 0 0 24 46 2 0 0 0 0 25 26 2 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 47 2 0 0 0 0 29 48 1 0 0 0 0 30 39 1 0 0 0 0 30 40 2 0 0 0 0 31 32 1 0 0 0 0 31 35 2 0 0 0 0 31 39 1 0 0 0 0 32 36 2 0 0 0 0 32 40 1 0 0 0 0 33 37 1 0 0 0 0 33 49 1 0 0 0 0 34 38 2 0 0 0 0 34 50 1 0 0 0 0 35 51 1 0 0 0 0 36 52 1 0 0 0 0 37 55 1 0 0 0 0 38 56 1 0 0 0 0 39 53 2 0 0 0 0 40 54 1 0 0 0 0 41 43 1 0 0 0 0 41 55 2 0 0 0 0 42 44 1 0 0 0 0 42 56 2 0 0 0 0 43 57 1 0 0 0 0 44 58 1 0 0 0 0 45 49 1 0 0 0 0 45 51 1 0 0 0 0 46 50 1 0 0 0 0 46 52 1 0 0 0 0 47 53 1 0 0 0 0 47 57 1 0 0 0 0 48 54 2 0 0 0 0 48 58 1 0 0 0 0 49 59 2 0 0 0 0 50 60 2 0 0 0 0 51 61 2 0 0 0 0 52 62 2 0 0 0 0 53 61 1 0 0 0 0 54 62 1 0 0 0 0 55 65 1 0 0 0 0 56 66 1 0 0 0 0 57 63 2 0 0 0 0 58 64 2 0 0 0 0 59 63 1 0 0 0 0 59 65 1 0 0 0 0 60 64 1 0 0 0 0 60 66 1 0 0 0 0 61 67 1 0 0 0 0 62 68 1 0 0 0 0 63 67 1 0 0 0 0 64 68 1 0 0 0 0 65 69 1 0 0 0 0 65 91 1 1 0 0 0 66 70 1 0 0 0 0 66 92 1 1 0 0 0 67 71 1 0 0 0 0 67 93 1 1 0 0 0 68 72 1 0 0 0 0 68 94 1 6 0 0 0 69 71 2 0 0 0 0 69 73 1 0 0 0 0 70 72 2 0 0 0 0 70 74 1 0 0 0 0 71 95 1 0 0 0 0 72 96 1 0 0 0 0 73 75 2 0 0 0 0 73 76 1 0 0 0 0 74 77 2 0 0 0 0 74 78 1 0 0 0 0 75 79 1 0 0 0 0 75 97 1 0 0 0 0 76 80 2 0 0 0 0 76 98 1 0 0 0 0 77 81 1 0 0 0 0 77 99 1 0 0 0 0 78 82 2 0 0 0 0 78100 1 0 0 0 0 79 83 2 0 0 0 0 79101 1 0 0 0 0 80 83 1 0 0 0 0 80102 1 0 0 0 0 81 84 2 0 0 0 0 81103 1 0 0 0 0 82 84 1 0 0 0 0 82104 1 0 0 0 0 83 85 1 0 0 0 0 84 86 1 0 0 0 0 85 87 1 0 0 0 0 85105 1 0 0 0 0 85106 1 0 0 0 0 86 88 1 0 0 0 0 86107 1 0 0 0 0 86108 1 0 0 0 0 89109 1 0 0 0 0 89110 1 0 0 0 0 89111 1 0 0 0 0 90112 1 0 0 0 0 90113 1 0 0 0 0 90114 1 0 0 0 0 M END > 22835161 > 0 > 4440 > 4 > 0 > 8 > AAADceB8OAAAAAAAAAAAAAAAAAAAAYMECBAwYMGDBAgAAEABVAAAGgAAAAAADQCAmAIyCMAABACIAiDSCAACAAAgAAAIiAEAAIgIIDKAFRCAIAAkwAEIiAeIyOCOwAACAAAQAACAAAQAACAAAQAACAAAAA== > InChI=1S/C86H24O4/c1-89-23(87)11-15-3-7-17(8-4-15)19-13-21-27-31-25(19)33-45-51-35(27)43-37-29(21)39-49-41(31)57-47(33)66-79-64(45)81-70(51)77-59(43)76-60-44-36-28-22-14-20(18-9-5-16(6-10-18)12-24(88)90-2)26-32(28)42-50-40-30(22)38(44)54-62-56(40)73-69(50)85-75-58(42)48-34(26)46-52(36)71(78(60)77)82(81)65(46)80(79)67(48)83(66)86(75)74(57)84(85)68(49)72(73)55(39)61(62)53(37)63(54)76/h3-10,13-14,21-22,25-26H,11-12H2,1-2H3/t21-,22-,25-,26+/m0/s1 > LQOMOKHCXHKXKB-LIOHBJMPSA-N > 19.6 > 1120.167459 > C86H24O4 > 1121.10836 > COC(=O)CC1=CC=C(C=C1)C2=CC3C4=C5C6=C7C3=C8C9=C1C3=C%10C%11=C%12C%13=C%14C%15=C%11C%11=C%10C%10=C1C1=C%16C%10=C%10C%11=C%11C%17C(=CC%15C%11=C%11C%14=C%14C(=C6C6=C%14C%14=C%11C%11=C%17C%10=C%10C%16=C%15C%16=C1C9=C4C2C%16=C1C5=C6C2=C%14C%11=C%10C%15=C12)C%13=C7C%12=C83)C1=CC=C(C=C1)CC(=O)OC > COC(=O)CC1=CC=C(C=C1)C2=C[C@H]3C4=C5C6=C7C3=C8C9=C1C3=C%10C%11=C%12C%13=C%14C%15=C%11C%11=C%10C%10=C1C1=C%16C%10=C%10C%11=C%11[C@@H]%17C(=C[C@H]%15C%11=C%11C%14=C%14C(=C6C6=C%14C%14=C%11C%11=C%17C%10=C%10C%16=C%15C%16=C1C9=C4[C@@H]2C%16=C1C5=C6C2=C%14C%11=C%10C%15=C12)C%13=C7C%12=C83)C1=CC=C(C=C1)CC(=O)OC > 52.6 > 1120.167459 > 0 > 90 > 4 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 18 8 10 22 8 11 12 8 11 15 8 11 23 8 12 16 8 12 24 8 13 37 8 14 38 8 15 33 8 16 34 8 17 41 8 18 42 8 19 20 8 19 21 8 19 28 8 20 22 8 20 29 8 21 43 8 22 44 8 23 25 8 23 45 8 24 26 8 24 46 8 25 26 8 25 35 8 26 36 8 27 28 8 27 29 8 27 30 8 28 47 8 29 48 8 30 39 8 30 40 8 31 32 8 31 35 8 31 39 8 32 36 8 32 40 8 33 37 8 33 49 8 34 38 8 34 50 8 35 51 8 36 52 8 37 55 8 38 56 8 39 53 8 40 54 8 41 43 8 41 55 8 42 44 8 42 56 8 43 57 8 44 58 8 45 49 8 45 51 8 46 50 8 46 52 8 47 53 8 47 57 8 48 54 8 48 58 8 49 59 8 5 13 8 5 14 8 5 6 8 50 60 8 51 61 8 52 62 8 53 61 8 54 62 8 57 63 8 58 64 8 59 63 8 6 15 8 6 16 8 60 64 8 65 91 5 66 92 5 67 93 5 68 94 6 7 13 8 7 17 8 7 8 8 73 75 8 73 76 8 74 77 8 74 78 8 75 79 8 76 80 8 77 81 8 78 82 8 79 83 8 8 14 8 8 18 8 80 83 8 81 84 8 82 84 8 9 10 8 9 17 8 9 21 8 $$$$