CDK 1030232203 43 47 0 0 0 0 0 0 0 0999 V2000 1.9880 -0.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3749 -0.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5903 -0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5464 -1.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4187 0.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0229 -1.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9333 -2.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 -1.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 0.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1487 -1.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8075 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 -2.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5026 -2.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 0.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5374 1.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4338 -2.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4206 -1.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9506 -3.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2563 -2.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3343 -2.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2275 -1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -3.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1271 -3.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1700 -3.7480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9707 -2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -2.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6822 -2.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 -1.8602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5631 -0.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9506 -4.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -3.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6852 -2.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1742 -3.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7531 -3.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3836 -0.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 -4.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3997 -2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5068 -3.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8685 -0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3997 -1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1141 -2.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 -1.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6890 -0.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 11 17 1 0 0 0 0 13 18 1 0 0 0 0 13 19 2 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 2 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 2 0 0 0 0 25 32 1 0 0 0 0 26 33 1 0 0 0 0 27 34 2 0 0 0 0 29 35 1 0 0 0 0 30 36 2 0 0 0 0 32 37 2 0 0 0 0 33 38 2 0 0 0 0 35 39 2 0 0 0 0 37 40 1 0 0 0 0 37 41 1 0 0 0 0 39 42 1 0 0 0 0 39 43 1 0 0 0 0 7 10 1 0 0 0 0 22 24 1 0 0 0 0 26 28 1 0 0 0 0 31 36 1 0 0 0 0 34 38 1 0 0 0 0 M END > CHEBI:227769 > [4-hydroxy-2,5-bis[[2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate > 2 > [4-hydroxy-2,5-bis[[2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate > C36H36N2O5 > 576.693 > 576.26242 > 0 > O=C1C(OC(=O)C)=C(C(=O)C(=C1CC=2C3=C(C=CC=C3)NC2CC=C(C)C)O)CC=4C5=C(C=CC=C5)NC4CC=C(C)C > InChI=1S/C36H36N2O5/c1-20(2)14-16-31-25(23-10-6-8-12-29(23)37-31)18-27-33(40)34(41)28(36(35(27)42)43-22(5)39)19-26-24-11-7-9-13-30(24)38-32(26)17-15-21(3)4/h6-15,37-38,40H,16-19H2,1-5H3 > OKRFRAUPCZMOFM-UHFFFAOYSA-N $$$$