84 88 0 0001 0 0 0 0 0999 V2000 9.7049 -0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.8284 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.9519 -0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.9519 -1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.8284 -2.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.7049 -1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.0753 -2.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.0753 -3.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.5016 -5.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.8045 -5.7847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 9.9917 -4.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.5376 -3.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.2707 -3.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 8.7009 -5.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.1273 -6.6452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 8.8444 -7.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0555 -8.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8365 -8.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8604 -7.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.6452 -5.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.4261 -5.2827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 4.4222 -6.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.2031 -6.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2230 -5.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.0040 -6.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.2151 -4.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.4342 -3.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.4382 -4.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6612 -7.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.6573 -8.2229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 3.8963 -9.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.1154 -9.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.3305 -11.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.5496 -11.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.7887 -12.9319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 8.0077 -13.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.9878 -12.5494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 8.2229 -14.6530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.5816 -9.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9362 -8.3663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.9362 -10.6132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.6573 -10.7806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 5.8803 -7.8165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.7768 -4.9720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 7.6253 -4.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.5696 -7.0755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 7.8643 -4.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 11.1152 -4.1592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 13.3383 -6.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 14.1988 -4.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 15.3223 -3.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.4458 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.5692 -3.8963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 18.6927 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 19.8162 -3.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 20.7962 -3.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 21.9197 -3.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 21.6568 -4.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 20.3660 -5.0676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 19.0991 -7.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.7844 -7.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.5175 -7.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.8721 -8.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.7565 -9.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.9278 -8.5814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 19.4098 -9.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 19.4098 -10.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 20.5333 -11.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 20.5333 -12.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 21.6568 -13.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 21.6568 -14.6291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 22.7802 -15.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 23.9037 -14.6291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 22.7802 -16.5653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 18.9556 -11.9519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 18.1429 -10.4937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 20.5333 -8.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 17.9278 -5.9998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 19.7445 -8.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 19.0752 -2.8445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 18.6927 -5.8325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 15.3223 -2.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 11.8084 -3.6573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 7 8 1 0 8 9 1 0 8 51 1 0 8 84 1 1 9 10 2 0 9 50 1 4 10 11 1 0 11 12 1 0 11 14 1 0 11 49 1 1 12 13 1 0 14 15 1 0 14 48 2 0 15 16 1 0 15 19 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 47 1 6 20 21 2 0 20 46 1 4 21 22 1 0 22 23 1 0 22 30 1 0 22 45 1 1 23 24 1 0 24 25 2 0 24 29 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 30 31 2 0 30 44 1 4 31 32 1 0 32 33 1 0 32 40 1 0 32 43 1 6 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 40 41 2 0 40 42 1 0 51 52 2 0 52 53 1 0 52 83 1 4 53 54 1 0 54 55 2 0 55 56 1 0 55 82 1 4 56 57 1 0 56 60 1 0 56 81 1 1 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 61 80 2 0 62 63 1 0 62 66 1 0 62 79 1 6 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 67 78 2 0 68 69 1 0 68 76 1 0 68 77 1 1 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 2 0 73 75 1 0 M END > InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 > QXZGBUJJYSLZLT-FDISYFBBSA-N > 1/1/N:1,27,2,6,26,28,70,34,58,17,64,3,5,25,29,69,33,57,18,63,71,35,16,59,65,7,23,53,12,4,24,68,32,8,22,11,56,19,62,52,9,30,55,20,67,14,61,40,73,37,76,74,75,38,39,72,36,54,51,31,21,10,15,60,66,13,83,50,44,82,46,78,48,80,41,42/E:(3,4)(5,6)(12,13)(14,15)(52,53)(54,55)(75,76)/it:im/rA:84cCCCCCCCCCNCCOCNCCCCCNCCCCCCCCCNCCCCNCNNCOOHOHOHOHONCCNCCCCCNCCCCCNCCCCCNCNNNHOHOHOOH/rB:d1;s2;d3;s4;s1d5;s4;s7;s8;d9;s10;s11;s12;s11;s14;s15;s16;s17;s15s18;s19;d20;s21;s22;s23;d24;s25;d26;s27;s24d28;s22;d30;s31;s32;s33;s34;s35;s36;d37;s37;s32;d40;s40;N32;V30;P22;V20;N19;d14;P11;V9;s8;d51;s52;s53;d54;s55;s56;s57;s58;s56s59;s60;s61;s62;s63;s64;s62s65;s66;s67;s68;s69;s70;s71;s72;d73;s73;s68;P68;d67;N62;d61;P56;V55;V52;P8;/rC:9.7049,-.6454,0;10.8284,0,0;11.9519,-.6454,0;11.9519,-1.9362,0;10.8284,-2.5816,0;9.7049,-1.9362,0;13.0753,-2.5816,0;13.0753,-3.8963,0;12.5016,-5.4979,0;10.8045,-5.7847,0;9.9917,-4.8046,0;9.5376,-3.5856,0;8.2707,-3.3465,0;8.7009,-5.0198,0;8.1273,-6.6452,0;8.8444,-7.697,0;8.0555,-8.7249,0;6.8365,-8.2946,0;6.8604,-7.0038,0;6.6452,-5.713,0;5.4261,-5.2827,0;4.4222,-6.0954,0;3.2031,-6.5496,0;2.223,-5.713,0;1.004,-6.1672,0;0,-5.3305,0;.2151,-4.0636,0;1.4342,-3.6095,0;2.4382,-4.4461,0;4.6612,-7.3862,0;3.6573,-8.2229,0;3.8963,-9.4898,0;5.1154,-9.9439,0;5.3305,-11.2108,0;6.5496,-11.665,0;6.7887,-12.9319,0;8.0077,-13.3861,0;8.9878,-12.5494,0;8.2229,-14.653,0;2.5816,-9.4898,0;1.9362,-8.3663,0;1.9362,-10.6132,0;3.6573,-10.7806,0;5.8803,-7.8165,0;3.7768,-4.972,0;7.6253,-4.8764,0;5.5696,-7.0755,0;7.8643,-4.0397,0;11.1152,-4.1592,0;13.3383,-6.5018,0;14.1988,-4.5417,0;15.3223,-3.8963,0;16.4458,-4.5417,0;17.5692,-3.8963,0;18.6927,-4.5417,0;19.8162,-3.8963,0;20.7962,-3.0119,0;21.9197,-3.6812,0;21.6568,-4.9481,0;20.366,-5.0676,0;19.0991,-7.2667,0;17.7844,-7.2906,0;16.5175,-7.0277,0;15.8721,-8.1512,0;16.7565,-9.1073,0;17.9278,-8.5814,0;19.4098,-9.4181,0;19.4098,-10.7328,0;20.5333,-11.3782,0;20.5333,-12.669,0;21.6568,-13.3144,0;21.6568,-14.6291,0;22.7802,-15.2745,0;23.9037,-14.6291,0;22.7802,-16.5653,0;18.9556,-11.9519,0;18.1429,-10.4937,0;20.5333,-8.7727,0;17.9278,-5.9998,0;19.7445,-8.3902,0;19.0752,-2.8445,0;18.6927,-5.8325,0;15.3223,-2.5816,0;11.8084,-3.6573,0; > C50 H73 N15 O11 > 1060.208 > C1C=CC(C[C@]([H])(N=C(O)CN=C(O)[C@@]2([H])N(C(=O)[C@@]3([H])N(C(=O)[C@@]([H])(N)CCCNC(N)=N)CCC3)CCC2)C(O)=N[C@]([H])(C(=O)N2[C@]([H])(C(O)=N[C@]([H])(C(O)=N[C@]([H])(C(O)=O)CCCNC(N)=N)CC3C=CC=CC=3)CCC2)CO)=CC=1 > 388341 $$$$