16156264 -OEChem-05102411212D 132170 0 1 0 0 0 0 0999 V2000 6.6831 -0.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6422 -2.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7001 0.7354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8946 -1.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7798 1.5656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1144 -0.9469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 1.3758 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2068 -0.1589 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0729 -0.6589 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7389 0.8619 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9389 0.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 -0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 0.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4316 2.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 1.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 -0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 -1.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 -0.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4751 1.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5394 0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 2.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2997 1.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 -1.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2749 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2364 2.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -2.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 0.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2306 2.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0386 -0.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3211 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 2.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9466 -2.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6542 -0.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 2.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -2.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 3.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -3.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6858 3.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -1.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -3.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2329 2.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7503 0.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8246 -2.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0142 3.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -2.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 -0.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8262 1.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 4.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4962 -3.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7176 -2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9388 3.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -3.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 -1.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8581 3.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7312 1.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 -4.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7942 -0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -2.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8168 3.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 3.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 -3.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -3.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6631 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2238 1.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2713 2.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3836 0.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4001 0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8947 -1.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8077 0.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9345 2.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6424 -0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1974 1.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1227 2.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 1.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3914 2.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2726 -0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9315 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6189 2.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7662 -1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8818 1.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0942 3.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6622 1.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3629 3.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3565 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9107 -0.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5926 2.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2143 4.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5513 0.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3703 -1.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9672 -3.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5491 -2.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0584 -3.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1696 -3.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0132 -3.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4912 -4.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4793 -4.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8205 1.1592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3309 2.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 -1.2994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3767 0.4109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6682 2.5654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6471 2.1443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8635 2.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7718 -0.4263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4011 0.3785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4396 3.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7533 -2.0801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4854 1.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6222 4.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1630 1.4949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8174 4.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2877 -1.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3674 -1.2411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0169 3.1428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1967 4.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9832 -0.1150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8911 -1.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9886 -1.5001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8939 -3.7544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6731 -2.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8322 -3.5858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3937 -3.2050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7661 -4.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1419 -4.6497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 75 1 0 0 0 0 1 97 1 0 0 0 0 2 76 1 0 0 0 0 2 98 1 0 0 0 0 3 75 2 0 0 0 0 4 76 2 0 0 0 0 5 23 1 0 0 0 0 5 33 2 0 0 0 0 6 21 1 0 0 0 0 6 36 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 0 0 0 0 8 23 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 9 33 1 0 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 17 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 14 22 2 0 0 0 0 14 27 1 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 24 1 0 0 0 0 18 24 2 0 0 0 0 18 28 1 0 0 0 0 19 29 2 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 2 0 0 0 0 21 71 1 0 0 0 0 21 72 1 0 0 0 0 22 34 1 0 0 0 0 23 73 1 0 0 0 0 23 74 1 0 0 0 0 24 35 1 0 0 0 0 25 29 1 0 0 0 0 25 37 2 0 0 0 0 26 32 1 0 0 0 0 26 38 2 0 0 0 0 27 31 2 0 0 0 0 27 39 1 0 0 0 0 28 30 2 0 0 0 0 28 40 1 0 0 0 0 29 43 1 0 0 0 0 30 42 1 0 0 0 0 31 45 1 0 0 0 0 32 46 1 0 0 0 0 33 75 1 0 0 0 0 34 37 1 0 0 0 0 34 41 2 0 0 0 0 35 38 1 0 0 0 0 35 44 2 0 0 0 0 36 76 1 0 0 0 0 37 47 1 0 0 0 0 38 48 1 0 0 0 0 39 41 1 0 0 0 0 39 49 2 0 0 0 0 40 44 1 0 0 0 0 40 50 2 0 0 0 0 41 53 1 0 0 0 0 42 50 1 0 0 0 0 42 51 2 0 0 0 0 43 51 1 0 0 0 0 43 54 2 0 0 0 0 44 55 1 0 0 0 0 45 49 1 0 0 0 0 45 52 2 0 0 0 0 46 52 1 0 0 0 0 46 56 2 0 0 0 0 47 53 2 0 0 0 0 47 54 1 0 0 0 0 48 55 2 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 62 1 0 0 0 0 53 60 1 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 60 1 0 0 0 0 57 66 2 0 0 0 0 58 63 1 0 0 0 0 58 65 2 0 0 0 0 59 61 2 0 0 0 0 59 65 1 0 0 0 0 60 67 2 0 0 0 0 61 67 1 0 0 0 0 62 64 2 0 0 0 0 62 66 1 0 0 0 0 63 68 2 0 0 0 0 64 68 1 0 0 0 0 65 70 1 0 0 0 0 66 69 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 77 2 0 0 0 0 71 79 1 0 0 0 0 72 78 2 0 0 0 0 72 80 1 0 0 0 0 73 81 2 0 0 0 0 73 83 1 0 0 0 0 74 82 2 0 0 0 0 74 84 1 0 0 0 0 77 85 1 0 0 0 0 77105 1 0 0 0 0 78 86 1 0 0 0 0 78106 1 0 0 0 0 79 87 2 0 0 0 0 79107 1 0 0 0 0 80 88 2 0 0 0 0 80108 1 0 0 0 0 81 89 1 0 0 0 0 81109 1 0 0 0 0 82 90 1 0 0 0 0 82110 1 0 0 0 0 83 91 2 0 0 0 0 83111 1 0 0 0 0 84 92 2 0 0 0 0 84112 1 0 0 0 0 85 93 2 0 0 0 0 85113 1 0 0 0 0 86 94 2 0 0 0 0 86114 1 0 0 0 0 87 93 1 0 0 0 0 87115 1 0 0 0 0 88 94 1 0 0 0 0 88116 1 0 0 0 0 89 95 2 0 0 0 0 89117 1 0 0 0 0 90 96 2 0 0 0 0 90118 1 0 0 0 0 91 95 1 0 0 0 0 91119 1 0 0 0 0 92 96 1 0 0 0 0 92120 1 0 0 0 0 93121 1 0 0 0 0 94122 1 0 0 0 0 95123 1 0 0 0 0 96124 1 0 0 0 0 97 99 1 0 0 0 0 97125 1 0 0 0 0 97126 1 0 0 0 0 98100 1 0 0 0 0 98127 1 0 0 0 0 98128 1 0 0 0 0 99101 1 0 0 0 0 99102 2 0 0 0 0 100101 2 0 0 0 0 100103 1 0 0 0 0 101129 1 0 0 0 0 102104 1 0 0 0 0 102130 1 0 0 0 0 103104 2 0 0 0 0 103131 1 0 0 0 0 104132 1 0 0 0 0 M END > 16156264 > 1 > 7010 > 6 > 0 > 4 > AAADceB/OAAAAAAAAAAAAAAAAAAAAQIECBAwYMGDAAAAAEABVAAAHgAAAAAADoihmAIwCIIABACoAyDyDASCAAAgAAAIiAEgDIgIJjKAsRmCMABkwAEIqAeY+fmfgAACAAAAAAAAAAQAAAAAAAAAAAAAAA== > InChI=1S/C98H28N2O4/c101-91-89-93-81-69-59-49-41-35-33-34-36-40-43-37(34)45(41)53(59)60-54(43)64-58-48(40)52-50-42(36)46-38(33)44-39(35)47-51(49)65-67-56(47)61-55(44)63-57(46)62(50)75-76-66(52)68(58)78-80-86(76)95-84(75)73(63)72(61)82-77(67)79(83(93)70(65)69)87(88(80)96(93,85(78)74(64)71(60)81)98(99-89,31-20-9-3-10-21-31)32-22-11-4-12-23-32)94(82,95)90(92(102)104-26-28-15-13-14-27(24-28)25-103-91)100-97(95,29-16-5-1-6-17-29)30-18-7-2-8-19-30/h1-24H,25-26H2 > XHRCJUMTQNGLFT-UHFFFAOYSA-N > 20.3 > 1297.20826221 > C98H28N2O4 > 1297.3 > C1C2=CC(=CC=C2)COC(=O)C3=NC(C45C36C7=C8C9=C2C3=C%10C9=C9C%11=C%12C%13=C%14C%15=C%16C%13=C%13C%11=C%10C%10=C%13C%11=C%16C%13=C%16C%11=C%11C%10=C3C3=C%11C%10=C%16C%11=C%16C%10=C%10C3=C2C7=C%10C4=C%16C2=C3C%11=C%13C%15=C3C3=C%14C47C%12(C9=C8C6=C4C3=C52)C(=NC7(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)O1)(C1=CC=CC=C1)C1=CC=CC=C1 > C1C2=CC(=CC=C2)COC(=O)C3=NC(C45C36C7=C8C9=C2C3=C%10C9=C9C%11=C%12C%13=C%14C%15=C%16C%13=C%13C%11=C%10C%10=C%13C%11=C%16C%13=C%16C%11=C%11C%10=C3C3=C%11C%10=C%16C%11=C%16C%10=C%10C3=C2C7=C%10C4=C%16C2=C3C%11=C%13C%15=C3C3=C%14C47C%12(C9=C8C6=C4C3=C52)C(=NC7(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)O1)(C1=CC=CC=C1)C1=CC=CC=C1 > 77.3 > 1296.20490738 > 0 > 104 > 0 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 20 3 100 101 8 100 103 8 102 104 8 103 104 8 11 12 8 11 15 8 12 17 8 13 15 8 13 25 8 14 22 8 14 27 8 15 22 8 16 17 8 16 26 8 17 24 8 18 24 8 18 28 8 19 29 8 19 30 8 20 31 8 20 32 8 22 34 8 24 35 8 25 29 8 25 37 8 26 32 8 26 38 8 27 31 8 27 39 8 28 30 8 28 40 8 29 43 8 30 42 8 31 45 8 32 46 8 34 37 8 34 41 8 35 38 8 35 44 8 37 47 8 38 48 8 39 41 8 39 49 8 40 44 8 40 50 8 41 53 8 42 50 8 42 51 8 43 51 8 43 54 8 44 55 8 45 49 8 45 52 8 46 52 8 46 56 8 47 53 8 47 54 8 48 55 8 48 56 8 49 57 8 50 58 8 51 59 8 52 62 8 53 60 8 54 61 8 55 63 8 56 64 8 57 60 8 57 66 8 58 63 8 58 65 8 59 61 8 59 65 8 60 67 8 61 67 8 62 64 8 62 66 8 63 68 8 64 68 8 65 70 8 66 69 8 67 69 8 68 70 8 69 70 8 7 14 3 71 77 8 71 79 8 72 78 8 72 80 8 73 81 8 73 83 8 74 82 8 74 84 8 77 85 8 78 86 8 79 87 8 8 19 3 80 88 8 81 89 8 82 90 8 83 91 8 84 92 8 85 93 8 86 94 8 87 93 8 88 94 8 89 95 8 9 18 3 90 96 8 91 95 8 92 96 8 99 101 8 99 102 8 $$$$