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0 0 0 0 9.5530 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5344 -1.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0941 -2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1634 3.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6746 -0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3049 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8886 -2.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5302 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9408 0.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5367 -1.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0321 -2.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4906 2.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9502 -2.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4892 4.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6813 -2.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5452 0.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7243 -3.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7613 1.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8603 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9512 -2.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6165 -3.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3476 4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8555 -3.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7764 3.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8044 -1.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6197 0.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6109 -4.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5578 5.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3556 -2.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1046 1.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6139 -4.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3003 4.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4880 -4.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0516 -0.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5060 -5.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1341 4.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -3.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5315 2.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6725 -5.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6420 5.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0795 -0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5782 -5.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0716 5.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5951 -5.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5719 -5.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6139 0.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6567 1.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6360 -0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6994 -0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0319 -1.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9052 -0.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3984 -1.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1877 -1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5642 -0.3339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3525 1.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7790 -0.6395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2510 0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6236 0.8247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6457 -0.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5122 -1.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7890 -1.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2846 -2.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8109 -0.7046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6953 -1.5738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5644 -1.6894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 72 1 0 0 0 0 1 74 1 0 0 0 0 2 73 1 0 0 0 0 2 75 1 0 0 0 0 3 72 2 0 0 0 0 4 73 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 67 1 0 0 0 0 5 76 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 68 1 0 0 0 0 6 77 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 17 2 0 0 0 0 11 19 1 0 0 0 0 12 18 2 0 0 0 0 12 20 1 0 0 0 0 13 18 1 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 14 22 1 0 0 0 0 15 19 2 0 0 0 0 15 25 1 0 0 0 0 16 20 2 0 0 0 0 16 26 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 2 0 0 0 0 21 32 1 0 0 0 0 22 30 2 0 0 0 0 22 31 1 0 0 0 0 23 31 2 0 0 0 0 23 33 1 0 0 0 0 24 32 2 0 0 0 0 24 34 1 0 0 0 0 25 29 1 0 0 0 0 25 35 2 0 0 0 0 26 30 1 0 0 0 0 26 36 2 0 0 0 0 27 33 2 0 0 0 0 27 37 1 0 0 0 0 28 34 2 0 0 0 0 28 38 1 0 0 0 0 29 39 1 0 0 0 0 30 40 1 0 0 0 0 31 43 1 0 0 0 0 32 44 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 37 1 0 0 0 0 35 45 1 0 0 0 0 36 38 1 0 0 0 0 36 46 1 0 0 0 0 37 47 2 0 0 0 0 38 48 2 0 0 0 0 39 45 2 0 0 0 0 39 50 1 0 0 0 0 40 46 2 0 0 0 0 40 49 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 49 2 0 0 0 0 43 51 1 0 0 0 0 44 50 2 0 0 0 0 44 52 1 0 0 0 0 45 53 1 0 0 0 0 46 54 1 0 0 0 0 47 55 1 0 0 0 0 48 56 1 0 0 0 0 49 57 1 0 0 0 0 50 58 1 0 0 0 0 51 59 1 0 0 0 0 52 60 1 0 0 0 0 53 55 2 0 0 0 0 53 62 1 0 0 0 0 54 56 2 0 0 0 0 54 61 1 0 0 0 0 55 63 1 0 0 0 0 56 64 1 0 0 0 0 57 59 1 0 0 0 0 57 61 2 0 0 0 0 58 60 1 0 0 0 0 58 62 2 0 0 0 0 59 63 2 0 0 0 0 60 64 2 0 0 0 0 61 66 1 0 0 0 0 62 65 1 0 0 0 0 63 65 1 0 0 0 0 64 66 1 0 0 0 0 65 66 2 0 0 0 0 67 68 2 0 0 0 0 67 69 1 0 0 0 0 68 70 1 0 0 0 0 69 71 1 0 0 0 0 69 78 1 0 0 0 0 69 79 1 0 0 0 0 70 71 1 0 0 0 0 70 80 1 0 0 0 0 70 81 1 0 0 0 0 71 72 1 0 0 0 0 71 73 1 0 0 0 0 74 82 1 0 0 0 0 74 83 1 0 0 0 0 74 84 1 0 0 0 0 75 85 1 0 0 0 0 75 86 1 0 0 0 0 75 87 1 0 0 0 0 M END > 16149222 > 1 > 5260 > 4 > 0 > 4 > AAADccB8OAAAAAAAAAAAAAAAAAAAAQIECBAwYIECBAgAAEABQAAAGgAAAAAADwCAmAICCMAABACIAgDQCAACAAAgAAAAiAEAAIgIIDaIEBCAIAAloAAIiAeIyPCPwAACAAAQAACAAAQAACAAAAAAAAAAAA== > InChI=1S/C71H12O4/c1-74-69(72)71(70(73)75-2)3-5-6(4-71)8-10-9-7(5)11-15-20-14(10)22-18-12(8)16-19-13(9)21-17(11)25-31-23(15)33-28(20)38-30(22)40-36-26(18)32-24(16)34-27(19)37-29(21)39-35(25)45-41(31)51-43(33)53-48(38)50(40)58-56-46(36)42(32)52-44(34)54-47(37)49(39)57-55(45)63-59(51)61(53)66(58)68-64(56)60(52)62(54)65(57)67(63)68/h7-8H,3-4H2,1-2H3 > YUSHRKHFRVLGFR-UHFFFAOYSA-N > 16.6 > 928.07355886 > C71H12O4 > 928.8 > COC(=O)C1(CC2=C(C1)C3C4=C5C2C6=C7C8=C4C9=C1C3=C2C3=C5C4=C6C5=C6C%10=C%11C%12=C%13C%14=C%15C%16=C%17C(=C1C%16=C2C%14=C3C%12=C4%10)C1=C2C3=C4C%10=C%12C(=C6C6=C%11C%11=C%13C%15=C%13C%17=C2C2=C4C%12=C6C%11=C%132)C5=C7C%10=C8C3=C91)C(=O)OC > COC(=O)C1(CC2=C(C1)C3C4=C5C2C6=C7C8=C4C9=C1C3=C2C3=C5C4=C6C5=C6C%10=C%11C%12=C%13C%14=C%15C%16=C%17C(=C1C%16=C2C%14=C3C%12=C4%10)C1=C2C3=C4C%10=C%12C(=C6C6=C%11C%11=C%13C%15=C%13C%17=C2C2=C4C%12=C6C%11=C%132)C5=C7C%10=C8C3=C91)C(=O)OC > 52.6 > 928.07355886 > 0 > 75 > 0 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 8 10 16 8 11 17 8 11 19 8 12 18 8 12 20 8 13 18 8 13 21 8 14 17 8 14 22 8 15 19 8 15 25 8 16 20 8 16 26 8 17 23 8 18 24 8 19 27 8 20 28 8 21 29 8 21 32 8 22 30 8 22 31 8 23 31 8 23 33 8 24 32 8 24 34 8 25 29 8 25 35 8 26 30 8 26 36 8 27 33 8 27 37 8 28 34 8 28 38 8 29 39 8 30 40 8 31 43 8 32 44 8 33 41 8 34 42 8 35 37 8 35 45 8 36 38 8 36 46 8 37 47 8 38 48 8 39 45 8 39 50 8 40 46 8 40 49 8 41 47 8 41 51 8 42 48 8 42 52 8 43 49 8 43 51 8 44 50 8 44 52 8 45 53 8 46 54 8 47 55 8 48 56 8 49 57 8 5 9 3 50 58 8 51 59 8 52 60 8 53 55 8 53 62 8 54 56 8 54 61 8 55 63 8 56 64 8 57 59 8 57 61 8 58 60 8 58 62 8 59 63 8 6 10 3 60 64 8 61 66 8 62 65 8 63 65 8 64 66 8 65 66 8 7 11 8 7 8 8 8 12 8 9 13 8 9 15 8 $$$$