HMDB0000947 RDKit 3D Undecanoic acid 35 34 0 0 0 0 0 0 0 0999 V2000 5.1492 -0.7706 0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1965 -1.0559 -0.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7563 -0.7478 -0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5254 0.6738 -0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0825 0.8769 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2011 0.5296 -0.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2716 0.7667 -0.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7255 -0.0689 0.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1653 0.1274 0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 -0.2314 -0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4904 -0.0680 0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3326 -0.3375 -0.7476 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9226 0.3678 1.3665 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1789 -0.7965 -0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1371 -1.5597 1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0315 0.2489 0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4796 -0.5519 -1.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2422 -2.1517 -1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1997 -0.9506 -1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3336 -1.4045 0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7122 1.3715 -0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1186 1.0154 0.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8762 1.9023 0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8968 0.1477 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3123 -0.5508 -1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4654 1.1267 -1.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 1.8384 -0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 0.4549 -1.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0715 0.0984 1.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6101 -1.1678 0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3655 1.1458 1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3683 -0.5976 1.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8346 -1.2707 -0.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8232 0.4531 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5045 1.1364 1.8745 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 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 13 35 1 0 M END