HMDB0035733 RDKit 3D Dukunolide E 63 69 0 0 0 0 0 0 0 0999 V2000 3.6620 0.5331 1.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6082 0.0585 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0573 -0.2453 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9097 -1.2674 0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5569 -2.2620 0.6612 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5147 -1.4679 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4182 -2.7116 -0.6806 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6814 -1.5324 1.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7171 -1.8895 0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1301 -3.2143 0.7352 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5562 -2.4500 1.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 -2.0088 1.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3265 -0.8291 1.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7325 -0.9368 -0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1947 -2.2971 -0.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2422 -1.0462 -0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4611 -0.4394 -1.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 0.2099 -2.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5038 0.8186 -3.1828 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5012 0.1664 -2.3598 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2778 0.0955 -1.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5385 1.4125 -0.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7082 1.8963 -0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 3.1934 0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2314 3.4594 0.0791 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6329 2.4413 -0.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0138 -0.4133 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5215 -0.7264 -2.2846 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5106 0.9545 -0.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8486 1.6295 0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4128 1.8629 -1.8007 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3233 2.8718 -1.5282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2878 4.0213 -2.0108 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 2.3862 -0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0217 0.9254 -0.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6235 0.1468 2.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7415 1.6240 1.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8814 0.1111 2.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1157 -0.2932 -1.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4160 -1.1806 0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7063 0.5776 0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1046 -2.8529 -1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 -0.6384 1.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1472 -2.3477 1.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -2.8196 2.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 -2.8271 1.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0723 -1.6085 3.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4219 -0.8308 0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9371 0.0963 1.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4516 -2.6181 -1.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1688 -2.1875 -1.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3223 -3.0233 -0.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2815 -0.3034 -1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6582 1.3874 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1640 3.8843 0.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5981 2.4849 -0.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0888 -1.5121 -2.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1831 1.2367 0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3937 1.6215 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6573 2.7280 0.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3055 2.8918 0.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3851 2.5037 -0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 0.5500 -1.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 6 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 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 17 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 2 1 0 27 6 1 0 35 29 1 0 11 9 1 0 21 14 1 0 26 22 2 0 16 9 1 0 1 36 1 0 1 37 1 0 1 38 1 0 3 39 1 0 3 40 1 0 3 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 11 45 1 0 12 46 1 0 12 47 1 0 13 48 1 0 13 49 1 0 15 50 1 0 15 51 1 0 15 52 1 0 21 53 1 0 23 54 1 0 24 55 1 0 26 56 1 0 28 57 1 0 30 58 1 0 30 59 1 0 30 60 1 0 34 61 1 0 34 62 1 0 35 63 1 0 M END