HMDB0041535 RDKit 3D Piperenol A triacetate 63 65 0 0 0 0 0 0 0 0999 V2000 -2.1369 -6.1590 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -4.8979 0.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -4.8040 1.9909 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2476 -3.8258 -0.0365 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6653 -2.6035 0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6893 -2.5019 -0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -1.3815 -0.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -1.4510 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4767 -0.5904 -0.5026 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8089 -0.4649 -0.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2416 -1.1661 -1.7592 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6944 0.4330 -0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0099 0.5063 -0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8722 1.3471 0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4432 2.1397 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1189 2.0656 1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2545 1.2129 0.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3839 -0.1708 -0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4105 0.5384 0.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7911 1.8687 0.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8224 2.6393 1.9369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1102 2.3828 -0.4422 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0919 -0.4827 -0.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 0.6812 -0.7242 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 1.2963 -1.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 0.7192 -2.8502 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3328 2.4980 -1.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0514 3.1464 -2.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7796 4.2894 -2.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 4.8344 -0.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1006 4.1891 0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3652 3.0353 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -1.4523 0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8568 -1.9509 -0.0804 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9599 -1.7656 0.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2983 -2.3492 0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8171 -1.0708 1.7211 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -6.0342 -0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1784 -6.2975 0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5247 -7.0428 0.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -2.7641 1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2815 -3.4093 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 -2.4522 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6092 -1.1075 -2.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4298 -0.0813 -1.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9195 1.3866 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1577 2.8007 1.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7802 2.6796 2.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2303 1.1894 1.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7049 0.4620 -1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1438 2.5174 2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 3.7114 1.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6664 2.3404 2.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0979 -0.8762 -1.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0126 2.7064 -3.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3288 4.7711 -3.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3932 5.7318 -0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1459 4.6375 1.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8357 2.6025 0.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6392 -0.8573 1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2025 -2.7726 -0.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0062 -1.4792 0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5864 -3.0975 1.1172 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 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 7 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 2 0 18 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 23 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 2 0 33 5 1 0 17 12 1 0 32 27 1 0 1 38 1 0 1 39 1 0 1 40 1 0 5 41 1 0 6 42 1 0 8 43 1 0 8 44 1 0 13 45 1 0 14 46 1 0 15 47 1 0 16 48 1 0 17 49 1 0 18 50 1 0 21 51 1 0 21 52 1 0 21 53 1 0 23 54 1 0 28 55 1 0 29 56 1 0 30 57 1 0 31 58 1 0 32 59 1 0 33 60 1 0 36 61 1 0 36 62 1 0 36 63 1 0 M END