48 54 0 0001 0 0 0 0 0999 V2000 2.7692 -13.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 8.0559 -9.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 7.9860 -11.5244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.4615 -6.8391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.0839 -10.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 11.9720 -11.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 10.5594 -13.9020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0000 -11.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.5315 -8.7132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.2937 -6.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 8.2097 -5.3566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.6364 -2.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 10.7132 -9.3146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.9930 -12.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.7412 -9.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.9300 -10.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.0140 -13.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.0000 -8.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.0139 -10.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.6992 -10.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9720 -11.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6713 -9.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.6293 -11.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.9440 -12.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.5874 -11.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.6153 -12.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.7412 -8.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.7692 -11.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.6993 -12.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.3286 -13.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4405 -10.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3496 -12.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.9020 -13.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.8531 -10.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.0279 -9.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.5944 -5.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.0559 -4.5734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.2028 -3.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.3566 -4.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.6503 -2.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.8461 -3.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.8181 -3.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.9510 -2.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.7832 -1.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.9510 -2.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4266 -1.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.2447 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.7832 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14 1 1 1 1 17 1 0 15 2 1 6 20 2 1 6 3 20 1 0 3 26 1 0 18 4 1 1 4 36 1 0 5 21 1 0 5 34 1 0 23 6 1 1 24 7 1 1 8 29 1 0 8 34 1 0 9 34 2 0 10 36 2 0 11 39 1 0 12 45 1 0 12 48 1 0 19 13 1 6 13 35 1 0 14 17 1 0 14 21 1 0 14 28 1 0 15 16 1 0 15 18 1 0 16 22 1 0 16 25 1 0 17 30 1 0 18 27 1 0 19 20 1 0 19 23 1 0 21 29 1 0 22 27 2 0 22 31 1 0 23 24 1 0 24 26 1 0 25 32 1 0 26 33 1 1 28 31 3 0 30 32 3 0 36 37 1 0 37 38 1 0 37 39 2 0 38 40 2 0 38 41 1 0 39 42 1 0 40 43 1 0 40 44 1 0 41 45 2 0 42 43 2 0 44 46 2 0 44 47 1 0 45 46 1 0 M END > InChI=1S/C35H35NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h8-9,12-14,17,21,24-26,28-31,33,36-39H,6,15H2,1-4H3/t17-,21?,24-,25?,26?,28-,29+,30-,31-,33-,35+/m1/s1 > BLXZMHNVKCEIJX-LTZUVELHSA-N > 1/0/N:47,33,35,48,32,25,30,43,42,31,28,46,27,41,29,44,26,22,45,40,16,38,39,18,17,21,37,19,24,23,15,36,20,34,14,13,11,7,6,10,9,12,8,3,4,5,2,1/it:im/rA:48cOOOOOOOOOOOONCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:;;;;;;;;;;;;p1;n2;s15;s1s14;p4s15;n13;n2s3s19;s5s14;s16;p6s19;p7s23;s16;s3s24;s18d22;s14;s8s21;s17;s22t28;s25t30;P26;s5s8d9;s13;s4d10;s36;s37;s11d37;d38;s38;s39;s40d42;s40;s12d41;d44s45;s44;s12;/rC:2.7692,-13.9859,0;8.0559,-9.2307,0;7.986,-11.5244,0;6.4615,-6.8391,0;2.0839,-10.5034,0;11.972,-11.6503,0;10.5594,-13.902,0;0,-11.0069,0;.5315,-8.7132,0;4.2937,-6.0559,0;8.2097,-5.3566,0;1.6364,-2.993,0;10.7132,-9.3146,0;2.993,-12.6712,0;6.7412,-9.1888,0;5.93,-10.2237,0;4.014,-13.5244,0;6,-8.0839,0;10.0139,-10.4335,0;8.6992,-10.3915,0;1.972,-11.8181,0;4.6713,-9.7762,0;10.6293,-11.6083,0;9.944,-12.7272,0;6.5874,-11.3706,0;8.6153,-12.6852,0;4.7412,-8.4615,0;2.7692,-11.3706,0;.6993,-12.1398,0;5.3286,-13.5244,0;3.4405,-10.2237,0;6.3496,-12.6712,0;7.902,-13.8181,0;.8531,-10.0139,0;12.0279,-9.3566,0;5.5944,-5.8181,0;6.0559,-4.5734,0;5.2028,-3.5664,0;7.3566,-4.3636,0;5.6503,-2.3217,0;3.8461,-3.8321,0;7.8181,-3.1049,0;6.951,-2.0839,0;4.7832,-1.2587,0;2.951,-2.7692,0;3.4266,-1.4685,0;5.2447,0,0;.7832,-2,0; > C35 H35 N O12 > 661.6519 > O1C2C#CCC3C(C#C[C@]12C1COC(=O)O1)=C[C@H]([C@@H]3O[C@@H]1[C@@H]([C@H]([C@H]([C@@H](C)O1)O)O)NC)OC(C1=C(C=CC2C(C)=CC(=CC1=2)OC)O)=O > 21106457 $$$$