HMDB0061886 RDKit 3D 2-Hexanol 21 20 0 0 0 0 0 0 0 0999 V2000 -2.2310 -0.8650 -0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4189 0.2691 -0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 1.0540 0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2775 0.2497 1.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3708 -0.3921 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2382 0.5725 -0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8483 -1.3957 -0.4743 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9318 -1.2419 0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3229 -0.6435 -0.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1262 -1.7151 -0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1423 0.9873 -1.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7481 -0.0470 -1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4508 1.4626 1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 1.9240 -0.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7509 0.9339 1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2539 -0.5173 1.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0221 -0.9364 1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0173 1.6242 -0.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 0.4285 -0.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1339 0.3220 -1.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5709 -2.0737 -0.6703 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 5 7 1 0 1 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 3 13 1 0 3 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 M END