HMDB0041096 RDKit 3D Lepidimoic acid 40 41 0 0 0 0 0 0 0 0999 V2000 -4.6397 -1.1625 0.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5147 -1.1485 -0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4126 -1.7129 0.4621 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6269 -0.7302 1.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7404 -1.2315 1.9801 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -0.0731 -0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0737 0.7467 0.4352 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3513 0.4041 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1495 0.0247 1.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 -0.3528 0.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2848 -1.1131 1.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8213 -1.4496 2.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5706 -1.4711 1.4829 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9951 -0.0106 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2681 0.7642 -1.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0913 1.6437 -2.0077 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1108 1.4737 -0.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3198 2.1750 -1.5325 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9326 0.6665 -0.9048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8238 2.0298 -0.5405 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3234 0.1939 -0.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9762 0.2875 -1.9717 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6282 -1.1591 0.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5938 -0.2616 1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5909 -2.1045 1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8554 -1.8532 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3157 0.0281 1.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8907 -2.2104 2.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 -0.8698 -0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3069 -0.4949 -0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3550 -0.8528 1.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0217 -0.3133 -0.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7899 0.0220 -2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9459 1.4887 -2.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5707 2.1422 0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0294 1.5645 -2.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6171 0.6394 -1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0118 2.1780 0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8682 0.9362 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7916 1.1664 -2.3879 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 1 0 4 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 2 0 11 13 1 0 10 14 2 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 6 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 2 1 0 17 8 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 4 27 1 0 5 28 1 0 6 29 1 0 8 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 16 34 1 0 17 35 1 0 18 36 1 0 19 37 1 0 20 38 1 0 21 39 1 0 22 40 1 0 M END