HMDB0031044 RDKit 3D Avocadene 2-acetate 59 58 0 0 0 0 0 0 0 0999 V2000 8.1967 -1.7168 2.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7423 -1.1407 1.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8976 0.0650 1.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5628 -0.2118 0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6367 -0.5853 -0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2584 -0.8477 -1.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 0.3296 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0039 -0.0762 -1.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1087 1.1682 -1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2601 0.8113 -2.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1336 2.0316 -1.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2882 2.4353 -0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8949 1.3930 0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 1.0585 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2822 0.5586 -1.3352 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9102 0.0245 0.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 -0.3466 0.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3104 0.7366 0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0690 1.7885 -0.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7795 -1.3209 1.4202 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1612 -2.5779 0.9761 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6541 -3.5417 1.9888 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0680 -2.8227 -0.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8234 -2.6071 2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9648 -1.3246 3.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9835 -1.5430 0.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4044 0.9431 1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6991 0.3012 2.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1239 -1.0830 1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8557 0.6396 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0672 0.2447 -1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2768 -1.4819 -0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7921 -1.6681 -0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2969 -1.1532 -2.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1224 0.6643 0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7114 1.2075 -1.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -0.3492 -2.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5777 -0.9217 -1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5403 1.9463 -2.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0569 1.4228 -0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6699 -0.0490 -1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0735 0.5810 -3.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5127 2.8851 -2.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 1.9780 -2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9337 3.3725 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3319 2.8288 -0.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9063 1.7188 1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2445 0.4613 0.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 2.0358 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1464 0.3582 -1.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8703 0.3351 1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2643 -0.8794 0.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3105 -0.8224 -0.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2663 0.2630 0.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5870 1.0930 1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3978 2.6571 -0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5646 -4.5862 1.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6922 -3.2574 2.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0335 -3.4236 2.9133 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 21 22 1 0 21 23 2 0 1 24 1 0 1 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 15 50 1 0 16 51 1 0 16 52 1 0 17 53 1 0 18 54 1 0 18 55 1 0 19 56 1 0 22 57 1 0 22 58 1 0 22 59 1 0 M END