16150654 -OEChem-06181323062D 138177 0 1 0 0 0 0 0999 V2000 7.7092 -2.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9765 0.9191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1742 -2.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6955 2.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7066 -1.5528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9751 3.4738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 -0.1863 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4751 2.0797 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2068 0.3137 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2306 3.0982 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2066 -0.6867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2355 2.8008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9389 0.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 1.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 1.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2364 3.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 -1.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1847 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 -0.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2015 3.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 1.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 1.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 -0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4316 2.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 -1.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7856 0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 2.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 1.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 4.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -1.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0775 1.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 1.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6967 4.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0856 2.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 -2.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 3.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 2.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6858 4.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8435 -1.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7650 1.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -2.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6544 -0.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -3.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7114 -4.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -1.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8098 3.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 0.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7053 4.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 3.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 4.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5085 -5.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 -3.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 -0.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5461 4.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 2.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6748 4.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 -3.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -3.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6546 -4.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 1.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 4.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 -1.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -2.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -2.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2065 -2.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9277 3.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7075 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8465 -0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3800 -3.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2666 -2.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6674 3.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4621 2.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7274 -2.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3893 -1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5008 -2.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3194 -3.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0927 -3.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6136 -4.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4543 4.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4613 2.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6200 3.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9974 1.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6558 -1.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3954 -2.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8337 -1.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3726 -2.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 -2.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4928 -4.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1528 -4.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7871 -5.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1939 5.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9957 1.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3597 4.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5317 0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7266 -5.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3869 -3.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5309 0.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1466 5.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9861 -3.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0083 -3.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6030 -4.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6209 -4.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3358 -2.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7468 -1.6562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2443 -0.5736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2532 0.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7944 -3.3474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6087 -1.5066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5675 -4.1439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0311 -3.8339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8637 5.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7495 2.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7521 2.9331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3779 1.4143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0091 -2.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4537 -1.9014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0753 -4.9428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0862 -2.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -5.4294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0448 -4.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0618 6.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6152 1.5444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2435 0.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9503 4.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -3.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8342 -5.9838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8622 0.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6052 5.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3704 -3.9069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6222 -3.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3624 -5.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9993 -5.0139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 43 1 0 0 0 0 1 73 1 0 0 0 0 2 44 1 0 0 0 0 2 74 1 0 0 0 0 3 43 2 0 0 0 0 4 44 2 0 0 0 0 11 5 1 6 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 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0 0 91 92 1 0 0 0 0 91122 1 0 0 0 0 92106 2 0 0 0 0 93102 2 0 0 0 0 93124 1 0 0 0 0 94101 2 0 0 0 0 94123 1 0 0 0 0 95102 1 0 0 0 0 95126 1 0 0 0 0 96101 1 0 0 0 0 96125 1 0 0 0 0 97104 2 0 0 0 0 97127 1 0 0 0 0 98103 2 0 0 0 0 98128 1 0 0 0 0 99104 1 0 0 0 0 99130 1 0 0 0 0 100103 1 0 0 0 0 100129 1 0 0 0 0 101132 1 0 0 0 0 102131 1 0 0 0 0 103133 1 0 0 0 0 104134 1 0 0 0 0 105107 1 0 0 0 0 105135 1 0 0 0 0 106108 1 0 0 0 0 106136 1 0 0 0 0 107108 2 0 0 0 0 107137 1 0 0 0 0 108138 1 0 0 0 0 M END > 16150654 > 0 > 7170 > 6 > 0 > 6 > AAADceB/OAAAAAAAAAAAAAAAGDAAAQIECBAwYMGDBAgAAADBVAAAHgAAAAAADoihmAIwCMIABACoAyDyDAACAAAgAAAIiAGgCJgKJrKAsRiDMAAkwAEIqAeY6PiPwAACAAAQAACAAAQAACAAAAAAAAAAAA== > InChI=1S/C102H30N2O4/c105-95-101(103-93(30-15-5-1-6-16-30)31-17-7-2-8-18-31)97-85-69-58-47-40-41-45-38-37-42-39-43(38)54-63-52(45)59-48(41)50-49(47)60-57-61(50)72-70(59)86-74(63)76-65(54)56-46(39)55-64-53(42)62(51(58)44(37)40)73(85)75(64)87-77-66(55)67(56)78-82-81(77)91(99(87,97)101)83-79(89(97)71(60)69)68(57)80-84(83)92(82)100(88(76)78)98(86,90(72)80)102(100,104-94(32-19-9-3-10-20-32)33-21-11-4-12-22-33)96(106)108-28-35-26-29(27-107-95)25-34-23-13-14-24-36(34)35/h1-26H,27-28H2/t97?,98?,99?,100?,101-,102+/m0/s1 > LAJNTQRJERXUST-PXPMFADISA-N > 23.5 > 1347.223912 > C102H30N2O4 > 1347.3406 > C1C2=CC3=CC=CC=C3C(=C2)COC(=O)C4(C56C47C8=C9C2=C3C4=C%10C%11=C%12C%13=C%14C%15=C%16C%17=C%18C%19=C%20C%16=C%16C%14=C%14C%13=C%13C%21=C%12C%10=C%10C3=C3C9=C7C7=C9C3=C%10C%21=C3C9=C9C7=C5C5=C(C%20=C%16C7=C%14C%10(C%133C%10(C(=O)O1)N=C(C1=CC=CC=C1)C1=CC=CC=C1)C9=C57)C6=C%19C8=C%18C2=C4C%17=C%15%11)N=C(C1=CC=CC=C1)C1=CC=CC=C1 > C1C2=CC3=CC=CC=C3C(=C2)COC(=O)[C@@]4(C56C47C8=C9C2=C3C4=C%10C%11=C%12C%13=C%14C%15=C%16C%17=C%18C%19=C%20C%16=C%16C%14=C%14C%13=C%13C%21=C%12C%10=C%10C3=C3C9=C7C7=C9C3=C%10C%21=C3C9=C9C7=C5C5=C(C%20=C%16C7=C%14C%10(C%133[C@]%10(C(=O)O1)N=C(C1=CC=CC=C1)C1=CC=CC=C1)C9=C57)C6=C%19C8=C%18C2=C4C%17=C%15%11)N=C(C1=CC=CC=C1)C1=CC=CC=C1 > 77.3 > 1346.220557 > 0 > 108 > 2 > 4 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 20 3 100 103 8 105 107 8 106 108 8 107 108 8 13 21 8 13 23 8 14 22 8 14 24 8 15 25 8 15 30 8 16 26 8 16 31 8 17 27 8 17 32 8 18 28 8 18 33 8 19 34 8 19 36 8 20 35 8 20 37 8 21 22 8 21 25 8 22 26 8 23 24 8 23 27 8 24 28 8 25 29 8 26 29 8 27 38 8 28 39 8 29 40 8 30 34 8 30 41 8 31 35 8 31 42 8 32 36 8 32 45 8 33 37 8 33 46 8 34 51 8 35 52 8 36 49 8 37 50 8 38 39 8 38 47 8 39 48 8 40 41 8 40 42 8 41 53 8 42 54 8 45 47 8 45 55 8 46 48 8 46 56 8 47 57 8 48 57 8 49 55 8 49 58 8 11 5 6 50 56 8 50 59 8 51 58 8 51 60 8 52 59 8 52 61 8 53 54 8 53 60 8 54 61 8 55 63 8 56 64 8 57 62 8 58 67 8 59 68 8 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