HMDB0031348 RDKit 3D Epiacorone 41 42 0 0 0 0 0 0 0 0999 V2000 4.0070 -0.0754 -0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 -0.9174 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1707 -0.6704 1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6883 -0.6759 1.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0078 -0.0731 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -0.8583 -0.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -0.6914 -1.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2839 -0.3692 -2.2201 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5317 1.3403 0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2473 1.9488 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3573 2.0731 1.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 1.4953 0.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7023 2.1528 0.6435 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4444 0.0406 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4293 -0.4731 -0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8168 -0.2058 0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 -1.9541 -0.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 0.0047 0.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7220 -0.5500 -0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7901 0.9363 -0.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1102 -1.9833 -0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5557 -1.4582 2.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5548 0.2883 1.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -0.1140 2.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2877 -1.7084 1.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1503 -0.5782 -1.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2729 -1.9673 -0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5929 1.4262 0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1536 2.9936 -1.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5073 1.4235 -1.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1551 2.1038 -1.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2823 3.1463 0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 1.8737 2.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7078 -0.4336 1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4276 0.0537 -1.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4918 -1.0551 -0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7838 -0.0886 1.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2679 0.7140 -0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9131 -2.1941 -1.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3953 -2.4001 -0.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8814 -2.5199 0.1191 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 5 6 1 0 6 7 1 0 7 8 2 0 5 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 7 2 1 0 14 5 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 6 26 1 0 6 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 M END