HMDB0036728 RDKit 3D ent-Kaur-16-en-19-al 51 54 0 0 0 0 0 0 0 0999 V2000 4.7757 1.4734 -1.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6659 0.8671 -0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2694 1.2877 -0.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4316 0.6247 0.1319 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6621 1.6918 0.8063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 1.5503 0.9134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4323 0.5003 0.0574 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6557 -0.7663 0.1990 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4369 -1.1382 1.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3399 -1.9333 -0.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5868 -1.4998 -1.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5496 -0.7945 -0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8888 0.4379 0.3019 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5147 1.6195 -0.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3099 0.6203 1.7063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4157 1.7031 2.2581 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6695 -0.4744 -0.5032 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4913 -1.6851 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9576 -1.4807 -0.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5418 -0.4077 0.0014 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4958 0.0110 1.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7359 2.4275 -1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7706 1.1133 -0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9801 0.9210 -1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1738 2.3907 -0.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 2.7172 0.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0746 1.7836 1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1288 1.3392 1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 2.5158 0.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 0.8427 -1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1183 -2.1025 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4505 -1.3797 2.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0274 -0.3466 2.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7242 -2.6802 0.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7318 -2.5083 -1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3376 -0.9152 -2.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0837 -2.4341 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4577 -0.5753 -0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7987 -1.4959 0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5902 1.4810 -0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9534 1.8201 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3846 2.5071 0.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5465 -0.2494 2.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3508 -0.0936 -1.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2317 -2.4733 0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1882 -2.1739 -1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2732 -1.3353 -1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 -2.4523 -0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4909 -0.6978 0.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1845 -0.8987 1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9041 0.7459 1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 4 3 1 6 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 1 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 1 15 16 2 0 8 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 2 1 0 17 4 1 0 21 4 1 0 13 7 1 0 1 22 1 0 1 23 1 0 3 24 1 0 3 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 6 9 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 14 40 1 0 14 41 1 0 14 42 1 0 15 43 1 0 17 44 1 6 18 45 1 0 18 46 1 0 19 47 1 0 19 48 1 0 20 49 1 1 21 50 1 0 21 51 1 0 M END