HMDB0036315 RDKit 3D Dimethyl ent-16alpha-kaurane-17,19-dioate 60 63 0 0 0 0 0 0 0 0999 V2000 6.9195 0.2819 -0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8129 0.5028 0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5195 0.6888 -0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3403 0.6561 -1.6472 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 0.9099 0.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0927 1.1002 -0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1048 0.4586 0.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1393 1.4454 1.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3046 0.9266 1.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5247 0.5773 -0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9294 0.6449 -0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2926 2.1545 -0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9247 0.0327 0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5455 -0.4441 1.5273 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2508 0.0014 0.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2608 -0.5678 0.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0689 0.1111 -1.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8521 -0.2767 -2.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6435 -0.6939 -1.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7981 -0.6928 -0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -1.9547 -0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4942 -0.8000 0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5649 -1.5858 -0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8995 -1.5121 0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -0.4491 1.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0027 0.0183 2.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6512 1.1315 -0.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6736 0.1061 -1.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4768 -0.5933 -0.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7017 1.6616 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8479 2.1891 -0.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1652 0.6238 -1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1353 2.3669 0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 1.7748 2.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3566 0.0562 2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9454 1.7213 1.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9836 1.3842 -0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4707 2.3918 0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5041 2.7450 -0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2371 2.2907 -0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0568 -0.3779 1.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2562 -1.6575 0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2559 -0.1914 0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 -0.6812 -1.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5706 0.9387 -2.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6019 0.4907 -3.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1336 -1.1635 -3.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1938 -0.0408 -2.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2873 -1.7374 -2.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -2.2116 1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5627 -2.0209 -0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9805 -2.7738 -0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2593 -1.4150 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5757 -1.3112 -1.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2032 -2.6584 -0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6591 -1.4377 -0.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1679 -2.4995 0.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0543 -0.7254 1.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3186 0.8819 2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5356 -0.7912 2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 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 11 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 11 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 5 1 0 22 7 1 0 26 7 1 0 20 10 1 0 1 27 1 0 1 28 1 0 1 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 12 38 1 0 12 39 1 0 12 40 1 0 16 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 19 48 1 0 19 49 1 0 21 50 1 0 21 51 1 0 21 52 1 0 22 53 1 0 23 54 1 0 23 55 1 0 24 56 1 0 24 57 1 0 25 58 1 0 26 59 1 0 26 60 1 0 M END