HMDB0256069 RDKit 3D N'-[(6-Oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methyl]-2-[4-(phenylmeth... 57 59 0 0 0 0 0 0 0 0999 V2000 -9.2485 0.7360 -1.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2305 1.4971 -1.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8955 1.8132 0.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8382 0.8036 0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0203 0.0410 2.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9751 -0.8531 2.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 -0.9380 1.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7596 -0.0995 0.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5331 -0.0582 -0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6022 -1.0669 -0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5786 -0.6229 -0.8005 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5477 -0.1744 -1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2236 0.1618 -2.5325 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5899 -0.3004 -0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7009 -0.8202 -0.8314 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6126 -0.3248 -1.7462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0053 -0.8907 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 -0.7699 -0.0355 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.3343 0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5937 -0.2697 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2663 1.0229 -0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2002 2.0416 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5299 1.7181 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8719 0.4220 0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9154 -0.5670 0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2978 -0.9271 0.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2078 -1.7533 0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7301 0.7304 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5280 1.4472 -0.9991 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8944 0.3193 -0.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4271 0.4396 -2.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5986 1.9191 -1.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3499 2.8032 0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6903 1.7780 1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9333 0.1336 2.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1452 -1.4167 3.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9542 -1.5368 1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0532 0.8498 -0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -1.0401 -1.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8248 0.9246 -0.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2898 -0.3466 0.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 0.7885 -1.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4238 -0.6600 -2.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9623 -2.0159 -1.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8206 -0.4941 -1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7595 -2.2033 -0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5666 -1.6159 1.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2372 1.2317 -0.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8533 3.0315 -0.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2419 2.5377 0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9053 0.2055 0.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1447 -1.6045 0.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5025 -1.4664 1.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 0.0451 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5239 -2.6567 -0.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3823 -1.8724 0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7915 1.2576 -1.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 18 26 1 0 26 27 1 0 8 28 2 0 28 29 1 0 28 4 1 0 27 15 1 0 25 20 1 0 1 30 1 0 1 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 9 38 1 0 11 39 1 0 14 40 1 0 14 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 17 45 1 0 19 46 1 0 19 47 1 0 21 48 1 0 22 49 1 0 23 50 1 0 24 51 1 0 25 52 1 0 26 53 1 0 26 54 1 0 27 55 1 0 27 56 1 0 29 57 1 0 M END