16156265 -OEChem-05042408312D 132170 0 1 0 0 0 0 0999 V2000 13.3993 1.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3735 -2.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5243 2.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8457 -2.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4901 3.2526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7798 0.8011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 -0.9234 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9063 3.5837 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0142 2.5895 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0729 -1.4234 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2068 0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8581 2.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 -1.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 3.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8168 2.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 -0.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2329 1.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 -2.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 0.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 0.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2997 0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6858 3.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 3.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8185 3.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2364 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 -0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 3.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2306 1.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -2.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 2.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 -1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 1.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7312 1.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8262 0.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -2.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4316 1.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 -2.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 1.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 -0.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 1.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 0.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4751 0.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 0.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 -0.9442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -2.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7503 -0.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 -1.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -3.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5085 -6.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -4.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0386 -1.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 -2.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9931 2.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3211 -0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2749 -1.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -3.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3980 -4.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6546 -6.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -3.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -4.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -2.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -4.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7114 -5.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 -5.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 -5.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 1.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3059 0.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5594 4.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4086 4.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8262 1.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6900 -1.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1491 1.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 1.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8456 2.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7129 -0.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3481 5.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4138 5.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5114 4.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9937 5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9475 2.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9112 1.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 3.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7191 -0.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0890 6.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0040 5.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2523 5.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5839 6.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6949 3.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3182 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0411 6.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5890 6.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6328 0.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2766 -2.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4941 -0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2738 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5413 -1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0026 -1.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7653 -1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2266 -2.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6856 1.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2727 2.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4340 2.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9614 -0.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7578 5.8322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0511 4.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6424 3.7534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6105 5.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3591 3.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6627 2.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1074 3.6067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3514 -0.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9580 6.9202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3871 5.9817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8426 4.8414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9466 7.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5699 4.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 0.9732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5004 6.4249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3349 7.2955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1653 -0.2755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0135 0.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8143 -3.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4333 -2.0822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2472 -0.7040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4762 -2.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2917 -1.4795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5208 -2.9938 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 24 1 0 0 0 0 5 58 2 0 0 0 0 6 21 1 0 0 0 0 6 59 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 24 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 9 58 1 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 10 59 1 0 0 0 0 11 19 1 0 0 0 0 11 20 2 0 0 0 0 12 23 2 0 0 0 0 12 28 1 0 0 0 0 13 27 2 0 0 0 0 13 30 1 0 0 0 0 14 22 1 0 0 0 0 14 25 2 0 0 0 0 15 31 2 0 0 0 0 15 36 1 0 0 0 0 16 26 2 0 0 0 0 16 34 1 0 0 0 0 17 29 1 0 0 0 0 17 37 2 0 0 0 0 18 38 2 0 0 0 0 18 40 1 0 0 0 0 19 26 1 0 0 0 0 19 33 2 0 0 0 0 20 27 1 0 0 0 0 20 35 1 0 0 0 0 21 71 1 0 0 0 0 21 72 1 0 0 0 0 22 23 1 0 0 0 0 22 32 2 0 0 0 0 23 41 1 0 0 0 0 24 73 1 0 0 0 0 24 74 1 0 0 0 0 25 29 1 0 0 0 0 25 39 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 28 31 1 0 0 0 0 28 45 2 0 0 0 0 29 46 2 0 0 0 0 30 38 1 0 0 0 0 30 49 2 0 0 0 0 31 52 1 0 0 0 0 32 33 1 0 0 0 0 32 35 1 0 0 0 0 33 39 1 0 0 0 0 34 40 2 0 0 0 0 34 48 1 0 0 0 0 35 41 2 0 0 0 0 36 37 1 0 0 0 0 36 53 2 0 0 0 0 37 50 1 0 0 0 0 38 54 1 0 0 0 0 39 42 2 0 0 0 0 40 56 1 0 0 0 0 41 44 1 0 0 0 0 42 47 1 0 0 0 0 43 44 2 0 0 0 0 43 51 1 0 0 0 0 44 45 1 0 0 0 0 45 57 1 0 0 0 0 46 47 1 0 0 0 0 46 55 1 0 0 0 0 47 48 2 0 0 0 0 48 60 1 0 0 0 0 49 51 1 0 0 0 0 49 61 1 0 0 0 0 50 55 1 0 0 0 0 50 62 2 0 0 0 0 51 57 2 0 0 0 0 52 63 2 0 0 0 0 52 64 1 0 0 0 0 53 62 1 0 0 0 0 53 63 1 0 0 0 0 54 61 2 0 0 0 0 54 65 1 0 0 0 0 55 60 2 0 0 0 0 56 65 2 0 0 0 0 56 66 1 0 0 0 0 57 64 1 0 0 0 0 58 75 1 0 0 0 0 59 76 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 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101129 1 0 0 0 0 102104 2 0 0 0 0 102130 1 0 0 0 0 103131 1 0 0 0 0 104132 1 0 0 0 0 M END > 16156265 > 1 > 6170 > 6 > 0 > 4 > AAADceB/OAAAAAAAAAAAAAAAAAAAAYMECBAwYMGDAAAAAEABVAAAHgAAAAAADoihmAIwCMIABACoAyDyDASCAAAgAAAIiAEgDIgIJjKAsRmCMABkwAEIqAeY2fGfwAACAAAQAACAAAQAACAAAQAACAAAAA== > InChI=1S/C98H28N2O4/c101-91-89-93-81-65-49-37-35-33-34-36-38-40-46-57-43(36)51(41(33)49)69(81)74(57)86-79-58(46)48-55(40)78-77-54(38)44(34)56-42(35)52-45-39(37)50-47-53(45)67-68-61-59(47)71(83(93)66(50)65)76-64(61)62-63(80(79)88(76)96(86,93)98(99-89,31-17-9-3-10-18-31)32-19-11-4-12-20-32)60(48)75-72(62)84(68)94-82(67)70(52)73(56)85(77)95(94,87(75)78)97(29-13-5-1-6-14-29,30-15-7-2-8-16-30)100-90(94)92(102)104-26-28-23-21-27(22-24-28)25-103-91/h1-24H,25-26H2 > SIRUFCILPCOHKL-UHFFFAOYSA-N > 21.7 > 1297.20826221 > C98H28N2O4 > 1297.3 > C1C2=CC=C(COC(=O)C3=NC(C45C36C7=C8C9=C3C%10=C%11C%12=C%13C%10=C8C6=C6C%13=C8C%10=C%12C%12=C%13C%10=C%10C%14=C%15C%16=C%17C%18=C%19C%16=C(C4=C4C%19=C%16C(=C47)C9=C4C3=C3C%11=C%12C7=C9C%13=C%14C%17=C9C9=C%18C%16=C4C94C73C(=NC4(C3=CC=CC=C3)C3=CC=CC=C3)C(=O)O1)C1=C5C6=C8C%10=C%151)(C1=CC=CC=C1)C1=CC=CC=C1)C=C2 > C1C2=CC=C(COC(=O)C3=NC(C45C36C7=C8C9=C3C%10=C%11C%12=C%13C%10=C8C6=C6C%13=C8C%10=C%12C%12=C%13C%10=C%10C%14=C%15C%16=C%17C%18=C%19C%16=C(C4=C4C%19=C%16C(=C47)C9=C4C3=C3C%11=C%12C7=C9C%13=C%14C%17=C9C9=C%18C%16=C4C94C73C(=NC4(C3=CC=CC=C3)C3=CC=CC=C3)C(=O)O1)C1=C5C6=C8C%10=C%151)(C1=CC=CC=C1)C1=CC=CC=C1)C=C2 > 77.3 > 1296.20490738 > 0 > 104 > 0 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 18 3 100 103 8 100 104 8 101 103 8 102 104 8 11 19 8 11 20 8 12 23 8 12 28 8 13 27 8 13 30 8 14 22 8 14 25 8 15 31 8 15 36 8 16 26 8 16 34 8 17 29 8 17 37 8 18 38 8 18 40 8 19 26 8 19 33 8 20 27 8 20 35 8 22 23 8 22 32 8 23 41 8 25 29 8 25 39 8 26 42 8 27 43 8 28 31 8 28 45 8 29 46 8 30 38 8 30 49 8 31 52 8 32 33 8 32 35 8 33 39 8 34 40 8 34 48 8 35 41 8 36 37 8 36 53 8 37 50 8 38 54 8 39 42 8 40 56 8 41 44 8 42 47 8 43 44 8 43 51 8 44 45 8 45 57 8 46 47 8 46 55 8 47 48 8 48 60 8 49 51 8 49 61 8 50 55 8 50 62 8 51 57 8 52 63 8 52 64 8 53 62 8 53 63 8 54 61 8 54 65 8 55 60 8 56 65 8 56 66 8 57 64 8 60 66 8 61 67 8 62 68 8 63 69 8 64 67 8 65 70 8 66 68 8 67 69 8 68 70 8 69 70 8 7 13 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 15 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 17 3 90 96 8 91 95 8 92 96 8 99 101 8 99 102 8 $$$$