HMDB0034122 RDKit 3D Aceteugenol 29 29 0 0 0 0 0 0 0 0999 V2000 -4.6049 -0.1072 0.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7529 0.8498 0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8788 0.6699 -0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4325 0.7120 -0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 1.8895 -0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6386 1.8754 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2714 0.7197 0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6068 0.6174 0.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6236 0.3950 -0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0442 0.2797 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2575 0.2901 -1.5025 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5554 -0.4823 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1689 -1.6759 0.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3823 -2.8498 0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7758 -0.4345 -0.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2555 0.0006 1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6703 -1.0339 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7344 1.7395 0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0721 1.4230 -1.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1019 -0.3113 -1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2025 2.8211 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2176 2.7912 -0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5079 -0.4210 -0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6149 1.2086 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2386 -0.1873 1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4979 -2.6409 1.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0322 -3.0419 -0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 -3.7377 0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3422 -1.3588 -0.1212 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 1 0 9 11 2 0 7 12 1 0 12 13 1 0 13 14 1 0 12 15 2 0 15 4 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 5 21 1 0 6 22 1 0 10 23 1 0 10 24 1 0 10 25 1 0 14 26 1 0 14 27 1 0 14 28 1 0 15 29 1 0 M END