16149482 -OEChem-05181320182D 132170 0 1 0 0 0 0 0999 V2000 12.8576 -0.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6397 -3.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6724 1.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0998 -3.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2824 2.9377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6197 -0.8173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2329 1.8550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0729 -1.1266 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8262 0.9923 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2068 -0.6266 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.2772 1.9377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2066 -1.6270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2306 2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 -0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7503 -0.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 0.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0142 2.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 -2.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7312 1.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 -1.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4751 1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 0.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2364 2.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 -1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0386 -0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 3.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 -2.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3980 -4.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 0.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9388 3.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -2.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5085 -6.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8168 2.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 0.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4316 1.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 -0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2749 -1.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 1.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6858 3.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 -3.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -2.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7114 -5.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 1.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8581 3.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -3.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7133 0.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8144 -2.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6546 -5.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 -0.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 3.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -4.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 -4.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 2.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 3.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -3.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -3.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 -1.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 -4.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 0.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -4.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -2.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 -1.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1510 3.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6251 -0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6977 -1.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6112 -3.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1562 4.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0144 2.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0382 -0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8154 -1.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2472 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6451 -3.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0248 4.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0092 1.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2927 4.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8830 3.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4459 0.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -2.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0435 -0.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9023 -1.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3622 -2.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5451 -2.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4945 -2.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6520 -3.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0300 5.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8726 1.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2979 5.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7464 2.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1094 -3.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 1.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0927 -1.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4566 0.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7412 1.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1665 6.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1962 -2.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8644 1.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0949 -1.5264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1058 -0.8656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1756 -3.8911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7382 -2.8431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5601 4.6159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4707 1.6216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7542 4.6305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8862 4.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4852 -2.7551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0626 0.8661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8381 -0.4835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7907 -0.7807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0576 -1.9218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9342 -3.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1713 -2.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8840 -3.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8694 0.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5685 6.2359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2850 3.2270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7626 6.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1736 -3.7060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1118 2.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 -1.4343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8399 0.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2766 1.6070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1698 7.0532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6943 -3.0456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5005 2.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 53 1 0 0 0 0 1 73 1 0 0 0 0 2 54 1 0 0 0 0 2 74 1 0 0 0 0 3 53 2 0 0 0 0 4 54 2 0 0 0 0 11 5 1 1 0 0 0 5 71 2 0 0 0 0 12 6 1 6 0 0 0 6 72 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 11 53 1 0 0 0 0 12 54 1 0 0 0 0 13 21 1 0 0 0 0 13 23 2 0 0 0 0 14 22 1 0 0 0 0 14 24 2 0 0 0 0 15 25 2 0 0 0 0 15 29 1 0 0 0 0 16 26 2 0 0 0 0 16 30 1 0 0 0 0 17 27 2 0 0 0 0 17 31 1 0 0 0 0 18 28 1 0 0 0 0 18 32 2 0 0 0 0 19 33 1 0 0 0 0 19 35 2 0 0 0 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2 0 0 0 0 67 70 1 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 71 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 72 78 1 0 0 0 0 73 79 1 0 0 0 0 73105 1 0 0 0 0 73106 1 0 0 0 0 74 80 1 0 0 0 0 74107 1 0 0 0 0 74108 1 0 0 0 0 75 81 2 0 0 0 0 75 83 1 0 0 0 0 76 82 2 0 0 0 0 76 84 1 0 0 0 0 77 85 2 0 0 0 0 77 87 1 0 0 0 0 78 86 2 0 0 0 0 78 88 1 0 0 0 0 79 89 2 0 0 0 0 79 90 1 0 0 0 0 80 91 2 0 0 0 0 80 92 1 0 0 0 0 81 93 1 0 0 0 0 81109 1 0 0 0 0 82 94 1 0 0 0 0 82110 1 0 0 0 0 83 95 2 0 0 0 0 83111 1 0 0 0 0 84 96 2 0 0 0 0 84112 1 0 0 0 0 85 98 1 0 0 0 0 85114 1 0 0 0 0 86 97 1 0 0 0 0 86113 1 0 0 0 0 87100 2 0 0 0 0 87116 1 0 0 0 0 88 99 2 0 0 0 0 88115 1 0 0 0 0 89 91 1 0 0 0 0 89117 1 0 0 0 0 90 92 2 0 0 0 0 90118 1 0 0 0 0 91119 1 0 0 0 0 92120 1 0 0 0 0 93102 2 0 0 0 0 93122 1 0 0 0 0 94101 2 0 0 0 0 94121 1 0 0 0 0 95102 1 0 0 0 0 95124 1 0 0 0 0 96101 1 0 0 0 0 96123 1 0 0 0 0 97103 2 0 0 0 0 97125 1 0 0 0 0 98104 2 0 0 0 0 98126 1 0 0 0 0 99103 1 0 0 0 0 99127 1 0 0 0 0 100104 1 0 0 0 0 100128 1 0 0 0 0 101129 1 0 0 0 0 102130 1 0 0 0 0 103131 1 0 0 0 0 104132 1 0 0 0 0 M END > 16149482 > 0 > 5820 > 6 > 0 > 6 > AAADceB/OAAAAAAAAAAAAAAAGDAAAYMECBAwYMGDBggAAAABVAAAHgAAAAAADoihmAIwCMIABACoAyDyDAACAAAgAAAIiAGgCJgKJrKAsRmDMAAkwAEIqAeYyPCPwAACAAAQAACAAAQAACAAAQAACAAAAA== > InChI=1S/C98H28N2O4/c101-91-97(99-89(29-13-5-1-6-14-29)30-15-7-2-8-16-30)93-81-65-49-37-35-33-34-36-38-40-45-55-43(36)53(41(33)49)69(81)71(55)83-73-57(45)48-52(40)68-66-50(38)42(34)54-44(35)56-46-39(37)51-47-58(46)74-78-62-59(47)75(85(93)67(51)65)79-63(62)64-61(77(73)87(79)95(83,93)97)60(48)76-80(64)88(78)96-84(74)72(56)70(54)82(66)94(96,86(68)76)98(96,92(102)104-26-28-23-21-27(22-24-28)25-103-91)100-90(31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-24H,25-26H2/t93?,94?,95?,96?,97-,98+ > QZEUEWKXPAHXLB-JZPVYNEDSA-N > 22.7 > 1297.208262 > C98H28N2O4 > 1297.28192 > C1C2=CC=C(COC(=O)C3(C45C36C7=C8C9=C3C%10=C%11C%12=C9C9=C7C7=C6C6=C%13C%14=C%15C6=C4C4=C6C%15=C%15C%16=C6C6=C%17C(=C%10C%10=C%11C%11=C%18C%12=C9C9=C7C%13=C7C9=C%18C9%12C%11=C%11C%10=C%17C%16=C%11C%10=C%15C%14=C7C%109C%12(C(=O)O1)N=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=C6C4=C5C8=C13)N=C(C1=CC=CC=C1)C1=CC=CC=C1)C=C2 > C1C2=CC=C(COC(=O)[C@]3(C45C36C7=C8C9=C3C%10=C%11C%12=C9C9=C7C7=C6C6=C%13C%14=C%15C6=C4C4=C6C%15=C%15C%16=C6C6=C%17C(=C%10C%10=C%11C%11=C%18C%12=C9C9=C7C%13=C7C9=C%18C9%12C%11=C%11C%10=C%17C%16=C%11C%10=C%15C%14=C7C%109[C@@]%12(C(=O)O1)N=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=C6C4=C5C8=C13)N=C(C1=CC=CC=C1)C1=CC=CC=C1)C=C2 > 77.3 > 1296.204907 > 0 > 104 > 2 > 4 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 20 3 100 104 8 13 21 8 13 23 8 14 22 8 14 24 8 15 25 8 15 29 8 16 26 8 16 30 8 17 27 8 17 31 8 18 28 8 18 32 8 19 33 8 19 35 8 20 34 8 20 36 8 21 25 8 21 37 8 22 26 8 22 38 8 23 27 8 23 39 8 24 28 8 24 40 8 25 41 8 26 42 8 27 43 8 28 44 8 29 33 8 29 47 8 30 34 8 30 48 8 31 35 8 31 49 8 32 36 8 32 50 8 33 55 8 34 56 8 35 51 8 36 52 8 37 38 8 37 40 8 38 39 8 39 42 8 40 41 8 41 45 8 42 46 8 43 46 8 43 57 8 44 45 8 44 58 8 45 47 8 46 48 8 47 59 8 48 60 8 49 57 8 49 61 8 11 5 5 50 58 8 50 62 8 51 61 8 51 63 8 52 62 8 52 64 8 55 63 8 55 65 8 56 64 8 56 66 8 57 60 8 58 59 8 59 65 8 12 6 6 60 66 8 61 67 8 62 68 8 63 69 8 64 70 8 65 68 8 66 67 8 67 70 8 68 69 8 69 70 8 7 17 3 75 81 8 75 83 8 76 82 8 76 84 8 77 85 8 77 87 8 78 86 8 78 88 8 79 89 8 79 90 8 8 18 3 80 91 8 80 92 8 81 93 8 82 94 8 83 95 8 84 96 8 85 98 8 86 97 8 87 100 8 88 99 8 89 91 8 9 19 3 90 92 8 93 102 8 94 101 8 95 102 8 96 101 8 97 103 8 98 104 8 99 103 8 $$$$