HMDB0029816 RDKit 3D Cardanoldiene 54 54 0 0 0 0 0 0 0 0999 V2000 8.0535 -0.0362 -1.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2189 -1.0303 -0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6022 -0.5607 1.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1084 -0.3259 0.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2104 -0.9738 1.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7893 -0.9765 1.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8737 -0.1946 0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9923 0.7243 -0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8038 1.3937 -0.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 0.8993 -0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6654 1.6017 -0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9816 1.1083 -0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1551 1.7717 -1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4694 1.2776 -0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6393 -0.1916 -0.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9550 -0.6192 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0784 -0.6045 -1.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2976 -1.0003 -0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4574 -1.4193 0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3279 -1.4280 1.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4591 -1.8477 2.9334 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1027 -1.0348 1.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8757 -0.2350 -2.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1046 -0.1340 -1.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1563 0.9772 -1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 -1.1630 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7231 -1.9883 -0.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0597 0.3972 1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7551 -1.3038 1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8877 0.4073 0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7067 -1.7078 2.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4323 -2.0764 1.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4187 -0.8463 2.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7812 -0.4155 1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9858 0.9983 -0.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8456 2.4917 -0.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 1.2079 -1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4383 1.0487 0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4204 -0.1911 -0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6068 2.6844 -0.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6259 1.3570 -2.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0135 0.0059 -0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0261 1.2055 0.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1322 1.5879 -2.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0809 2.8722 -0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6431 1.5874 0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2727 1.7950 -1.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5907 -0.3988 -1.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8512 -0.7786 -0.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9944 -0.2792 -2.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1932 -0.9958 -1.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4284 -1.7312 1.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6574 -1.8662 3.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2210 -1.0461 1.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 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 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 22 16 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 17 50 1 0 18 51 1 0 19 52 1 0 21 53 1 0 22 54 1 0 M END