HMDB0036722 RDKit 3D ent-17-Acetoxy-16b-kauran-19-al 59 62 0 0 0 0 0 0 0 0999 V2000 5.3019 1.4805 2.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8244 0.5697 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 -0.6702 1.3613 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3632 1.0585 -0.0186 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9152 0.2303 -1.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 -0.6153 -0.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5592 0.2524 -0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4668 0.0896 -1.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 1.3793 -1.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 1.3444 -1.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 0.7668 0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9574 1.2038 0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9137 2.7157 1.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2395 0.9394 0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2229 0.6940 0.8837 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8664 0.5974 2.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5591 -0.8497 2.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4605 -1.2896 1.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6216 -0.7102 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8726 -1.3845 -0.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4922 -1.0267 -0.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2784 -2.2321 -0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4118 -2.5895 -1.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1787 -1.3812 -1.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2615 -0.3682 -2.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8499 2.3167 1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0368 0.9058 2.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4751 1.9004 2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6669 0.8742 -1.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6887 -0.4750 -1.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0327 -1.3428 0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8996 1.3268 -0.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3331 0.0455 0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0219 1.6782 -2.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2547 2.1961 -0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0744 2.3610 -1.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1118 0.6914 -2.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8589 1.1114 0.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0074 3.2921 0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8475 2.9273 1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0713 2.9902 1.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3211 0.9601 -0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1898 1.2196 2.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8877 0.7399 2.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2094 -1.0844 3.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4829 -1.4474 2.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -1.0731 1.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5356 -2.3995 1.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1468 -0.9979 -1.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5462 -2.4509 -0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6893 -1.4582 0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 -1.3270 -1.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6694 -2.1356 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4318 -3.0866 -0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0465 -3.1300 -2.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 -3.2587 -0.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9525 -1.7029 -2.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5836 -0.8185 -3.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8713 0.4470 -2.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 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 12 14 1 0 14 15 2 0 12 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 6 1 0 21 8 1 0 25 8 1 0 19 11 1 0 1 26 1 0 1 27 1 0 1 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 13 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 18 47 1 0 18 48 1 0 20 49 1 0 20 50 1 0 20 51 1 0 21 52 1 0 22 53 1 0 22 54 1 0 23 55 1 0 23 56 1 0 24 57 1 0 25 58 1 0 25 59 1 0 M END