HMDB0031266 RDKit 3D 2-Nonanone 28 27 0 0 0 0 0 0 0 0999 V2000 3.7807 0.8692 0.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 -0.1010 0.6045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5491 0.6547 -0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3984 -0.2327 -0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2128 -0.8473 0.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3801 -1.7423 0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4848 -0.9834 -0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0236 0.1148 0.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6391 1.5194 0.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8054 -0.1164 1.4508 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2198 1.2944 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4039 1.6754 1.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5310 0.2726 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3067 -0.5161 1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0421 -0.9415 0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2348 1.4911 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0243 1.1060 -1.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -1.0659 -1.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3241 0.3915 -1.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5729 -0.0820 1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5699 -1.5036 1.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0027 -2.5730 -0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7817 -2.1752 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1832 -0.5768 -1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2941 -1.7386 -0.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5221 2.1924 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3626 1.7251 -0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8463 1.8892 0.9568 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 8 10 2 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 9 26 1 0 9 27 1 0 9 28 1 0 M END