16150054 -OEChem-05042414522D 104138 0 1 0 0 0 0 0999 V2000 5.9986 -2.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8717 -2.2449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9015 1.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3794 -1.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8788 -1.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0292 -1.2019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5306 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1174 0.2891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 0.2228 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8328 0.1881 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2068 0.7228 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7389 0.7020 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2066 -0.2777 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7311 -0.3401 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9389 0.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 -0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 -0.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 1.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2749 -0.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 2.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9466 -1.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 2.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4751 2.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 1.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0386 0.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8729 -1.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0319 -1.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5462 0.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7426 -0.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 3.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4316 3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -2.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8246 -1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 3.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2306 3.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4962 -2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8185 -0.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 3.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2364 3.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 -0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7176 -1.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 3.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2329 3.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6858 4.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 4.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 2.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8262 2.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -2.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 -3.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 -0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2816 -2.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 5.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0142 4.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 -2.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 1.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2605 -1.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6696 5.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9388 4.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 4.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7279 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5561 -2.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2860 -3.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2412 2.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3909 -1.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4218 -3.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4043 -3.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5964 3.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0276 -2.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8810 -4.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9140 -4.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3701 -5.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3934 -5.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9536 -3.1316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9696 -2.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3428 -3.6512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8891 -2.5575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7789 2.0592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6385 2.8438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4050 -0.9544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7829 -1.4528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0704 3.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1967 3.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 2.7325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -2.2808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8024 -3.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6053 -2.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2613 -4.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5340 -4.3589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0486 -5.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6959 -5.7775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 1 75 1 0 0 0 0 2 34 1 0 0 0 0 2 76 1 0 0 0 0 3 35 1 0 0 0 0 3 77 1 0 0 0 0 4 36 1 0 0 0 0 4 78 1 0 0 0 0 5 33 2 0 0 0 0 6 34 2 0 0 0 0 7 35 2 0 0 0 0 8 36 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 22 1 0 0 0 0 13 33 1 0 0 0 0 13 35 1 0 0 0 0 14 34 1 0 0 0 0 14 36 1 0 0 0 0 15 20 2 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 17 26 2 0 0 0 0 18 23 2 0 0 0 0 18 29 1 0 0 0 0 19 24 2 0 0 0 0 19 30 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 21 27 2 0 0 0 0 21 31 1 0 0 0 0 22 28 2 0 0 0 0 22 32 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 27 1 0 0 0 0 25 39 1 0 0 0 0 26 28 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 29 31 2 0 0 0 0 29 43 1 0 0 0 0 30 32 2 0 0 0 0 30 44 1 0 0 0 0 31 47 1 0 0 0 0 32 48 1 0 0 0 0 37 38 1 0 0 0 0 37 49 2 0 0 0 0 38 50 2 0 0 0 0 39 40 2 0 0 0 0 39 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0 0 81 95 1 0 0 0 0 81 96 1 0 0 0 0 81 97 1 0 0 0 0 82 98 1 0 0 0 0 82 99 1 0 0 0 0 82100 1 0 0 0 0 83 85 1 0 0 0 0 83101 1 0 0 0 0 84 86 1 0 0 0 0 84102 1 0 0 0 0 85 86 2 0 0 0 0 85103 1 0 0 0 0 86104 1 0 0 0 0 M END > 16150054 > 1 > 5790 > 8 > 0 > 6 > AAADceB8PAAAAAAAAAAAAAAAGDAAAYMECBAwYIECBAgAAAABQAAAGgAAAAAADgCgmAIyCIAABACIAiDSCAACAAAgAAAIiAEACIgIJjaIMRiCMAAl4AEIqAfIyPCPwAACAAAQAACAAAQAACAAAQAACAAAAA== > InChI=1S/C78H18O8/c1-3-83-69(79)77-71(81)85-9-11-7-5-6-8-12(11)10-86-72(82)78(70(80)84-4-2)74-63-52-42-32-22-16-13-14-19-25-21-15(13)17-18(16)24-30-29-23(17)33-31(21)41-35(25)45-37-27(19)28-20(14)26(22)36(42)46-38(28)48-47(37)57-55(45)62-51(41)53-43(33)39(29)49-50-40(30)44(34(24)32)54(52)65(74)60(50)61-59(49)64(53)73(62,77)75(77)66(57)67(58(48)56(46)63)76(74,78)68(61)75/h5-8H,3-4,9-10H2,1-2H3 > DCKLHQATNSRXSD-UHFFFAOYSA-N > 13.3 > 1082.10016753 > C78H18O8 > 1083.0 > CCOC(=O)C12C(=O)OCC3=CC=CC=C3COC(=O)C4(C56C47C8=C9C3=C4C%10=C%11C%12=C%13C%14=C%15C%12=C%12C%10=C%10C3=C3C9=C5C5=C9C6=C6C%16=C%17C9=C9C%18=C%17C%17=C(C%14=C%14C%17=C%16C%16=C%17C%14=C%13C%13=C%11C4=C8C1(C2%13%17)C7=C%166)C1=C%15C2=C%12C%10=C4C3=C5C9=C4C2=C1%18)C(=O)OCC > CCOC(=O)C12C(=O)OCC3=CC=CC=C3COC(=O)C4(C56C47C8=C9C3=C4C%10=C%11C%12=C%13C%14=C%15C%12=C%12C%10=C%10C3=C3C9=C5C5=C9C6=C6C%16=C%17C9=C9C%18=C%17C%17=C(C%14=C%14C%17=C%16C%16=C%17C%14=C%13C%13=C%11C4=C8C1(C2%13%17)C7=C%166)C1=C%15C2=C%12C%10=C4C3=C5C9=C4C2=C1%18)C(=O)OCC > 105 > 1082.10016753 > 0 > 86 > 0 > 6 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 17 3 11 21 3 12 22 3 13 33 3 14 36 3 16 17 8 16 25 8 17 26 8 18 23 8 18 29 8 19 24 8 19 30 8 20 23 8 20 24 8 21 27 8 21 31 8 22 28 8 22 32 8 23 37 8 24 38 8 25 27 8 25 39 8 26 28 8 26 40 8 27 41 8 28 42 8 29 31 8 29 43 8 30 32 8 30 44 8 31 47 8 32 48 8 37 38 8 37 49 8 38 50 8 39 40 8 39 45 8 40 46 8 41 45 8 41 51 8 42 46 8 42 52 8 43 49 8 43 53 8 44 50 8 44 54 8 45 59 8 46 60 8 47 51 8 47 57 8 48 52 8 48 58 8 49 55 8 50 56 8 51 61 8 52 62 8 53 57 8 53 63 8 54 58 8 54 64 8 55 56 8 55 63 8 56 64 8 57 67 8 58 68 8 59 60 8 59 65 8 60 66 8 61 65 8 61 67 8 62 66 8 62 68 8 63 70 8 64 71 8 65 69 8 66 69 8 67 72 8 68 73 8 69 74 8 70 71 8 70 72 8 71 73 8 72 74 8 73 74 8 79 80 8 79 83 8 80 84 8 83 85 8 84 86 8 85 86 8 9 16 3 $$$$