HMDB0304347 RDKit 3D ent-kaurenal 51 54 0 0 0 0 0 0 0 0999 V2000 4.9287 -1.3153 0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7432 -0.7469 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5065 -1.3830 0.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4373 -0.2755 0.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6021 -0.4131 1.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7291 0.2806 1.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3882 -0.2821 0.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8505 -0.1059 0.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2366 0.9282 1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5515 -1.3689 0.9876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6296 -1.6924 0.5706 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4422 0.3436 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7485 -0.0541 -1.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3318 -0.5048 -1.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6399 0.1924 -0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6349 1.6494 -0.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7551 -0.4353 -0.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6055 -0.0711 -1.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8241 0.7194 -1.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4108 0.6093 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2811 0.9639 0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8186 -0.8055 -0.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0828 -2.3450 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 -1.8008 1.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2558 -2.2110 0.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1559 -0.0080 2.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4022 -1.4954 2.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3264 -0.0208 2.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6601 1.3641 1.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1751 -1.3938 0.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3012 0.4773 2.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2879 1.2444 1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6282 1.8283 1.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9998 -1.9595 1.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6099 1.4619 -0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4974 -0.0633 -0.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2916 -0.8890 -2.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7586 0.7893 -2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -1.5915 -1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8133 -0.3778 -2.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8383 2.2775 0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4297 1.9184 -1.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3075 2.0364 -1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5295 -1.5449 -0.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 0.5162 -2.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9162 -0.9780 -2.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6686 1.8219 -1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6513 0.4537 -2.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2047 1.3476 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7922 1.8883 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 1.0204 1.8986 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 8 10 1 0 10 11 2 0 8 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 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 15 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 0 9 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 16 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 19 47 1 0 19 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 M END