HMDB0000482 RDKit 3D Caprylic acid 26 25 0 0 0 0 0 0 0 0999 V2000 -4.2791 -0.3245 0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1555 0.4935 -0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8643 -0.1270 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6519 0.5826 -0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5677 -0.1542 0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8486 0.4794 -0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9933 -0.3033 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2956 0.2634 -0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3543 -0.2600 0.3313 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3789 1.3454 -0.9198 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1311 -1.3797 0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0569 -0.3404 1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2648 0.0601 0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1991 0.4750 -1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2649 1.5261 0.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8432 -1.1626 -0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7866 -0.1414 1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 1.6222 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 0.5769 -1.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4604 -1.1969 -0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -0.1183 1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8563 0.3215 -1.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8933 1.5501 -0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9273 -0.1824 1.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8821 -1.3584 0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7454 1.1969 -1.8579 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 2 0 8 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 10 26 1 0 M END