27 32 0 0001 0 0 0 0 0999 V2000 11.6000 -3.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.5000 -6.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 16.3000 -5.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.5000 -4.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 14.1000 -4.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.1000 -6.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.3000 -8.4660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 8.8000 -2.4660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 9.6000 -5.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.7330 -5.0660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 12.8330 -6.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.8330 -4.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.7000 -4.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.7000 -6.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.8000 -3.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.4000 -3.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.4000 -4.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.4000 -6.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.4000 -7.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.8000 -7.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6000 -4.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.8000 -5.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6000 -6.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.9000 -6.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.9000 -4.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.1000 -6.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.1000 -4.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 4 3 1 0 5 4 1 0 6 2 1 0 6 5 1 0 10 1 1 0 10 9 1 0 11 6 2 0 12 5 2 0 13 12 1 0 14 11 1 0 14 13 2 0 15 13 1 0 16 8 1 1 16 10 1 0 16 15 1 0 17 16 1 0 18 17 1 0 19 18 1 0 20 19 1 0 20 14 1 0 20 7 1 1 20 10 1 0 22 21 1 0 23 22 1 0 24 23 1 0 25 24 2 0 25 21 1 0 26 24 1 0 26 18 2 0 27 17 2 0 27 25 1 0 M END > InChI=1S/C20H20NO4/c1-21(2)15-3-11-5-17-19(24-9-22-17)7-13(11)16(21)4-12-6-18-20(8-14(12)15)25-10-23-18/h5-8,15-16H,3-4,9-10H2,1-2H3/q+1/t15-,16-/m0/s1 > HFYKETHYKFKFQE-HOTGVXAUSA-N > 1/0/N:1,9,15,19,12,26,11,27,3,22,13,18,14,17,16,20,5,24,6,25,10,4,23,2,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(22,23)(24,25)/it:im/CRV:21+1/rA:27nCOCOCCHHCN+CCCCCCCCCCOCOCCCC/rB:;s2;s3;s4;s2s5;;;;s1s9;d6;d5;s12;s11d13;s13;p8s10s15;s16;s17;s18;p7s10s14s19;;s21;s22;s23;s21d24;d18s24;d17s25;/rC:11.6,-3.333,0;15.5,-6.633,0;16.3,-5.466,0;15.5,-4.333,0;14.1,-4.799,0;14.1,-6.199,0;11.3,-8.466,0;8.8,-2.466,0;9.6,-5.633,0;10.733,-5.066,0;12.833,-6.899,0;12.833,-4.099,0;11.7,-4.799,0;11.7,-6.199,0;10.8,-3.766,0;9.4,-3.766,0;8.4,-4.799,0;8.4,-6.199,0;9.4,-7.199,0;10.8,-7.199,0;4.6,-4.333,0;3.8,-5.466,0;4.6,-6.633,0;5.9,-6.199,0;5.9,-4.799,0;7.1,-6.899,0;7.1,-4.099,0; > C20 H20 N O4 > 338.3771 > C[N+]1([C@]2([H])C3=C(C[C@]1(C1=CC4OCOC=4C=C1C2)[H])C=C1C(=C3)OCO1)C |&1:2,7| > 28941458 $$$$