HMDB0033839 RDKit 3D Eudesmic acid 27 27 0 0 0 0 0 0 0 0999 V2000 3.3576 1.5223 0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 0.3253 0.3473 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2529 0.3700 0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5948 1.5654 0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7972 1.5818 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5394 2.7994 -0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9349 3.8832 -0.2935 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 2.7907 -0.3254 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 0.3857 0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 -0.8012 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4789 -2.0280 0.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8482 -2.2358 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5352 -0.8208 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2428 -2.0202 0.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6941 -2.7595 -0.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4226 1.3490 0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3184 1.9453 -0.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9237 2.2410 0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1238 2.5061 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4702 2.9896 0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5867 0.3563 -0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3101 -2.3519 1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0225 -3.2421 -0.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4201 -1.4837 -0.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 -2.2594 -1.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2939 -3.7764 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7988 -2.8322 -0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 5 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 2 0 13 14 1 0 14 15 1 0 13 3 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 8 20 1 0 9 21 1 0 12 22 1 0 12 23 1 0 12 24 1 0 15 25 1 0 15 26 1 0 15 27 1 0 M END