HMDB0035656 RDKit 3D 3-Pinanone 27 28 0 0 0 0 0 0 0 0999 V2000 2.0752 -1.2826 1.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5216 -0.2860 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3536 1.0639 0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0029 1.4814 1.5479 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3328 1.9603 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6518 1.1243 -0.7704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 0.2365 -1.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2673 -0.7307 -0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9895 -0.1735 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1505 -0.0863 1.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1999 -0.8034 -0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7204 -2.3188 0.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8619 -1.0261 2.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1985 -1.3497 0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3061 -0.1958 -0.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8815 2.6392 -0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2425 2.5098 0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5561 1.6182 -1.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6573 -0.1467 -2.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9911 0.6731 -2.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -1.7892 -0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7749 -0.9663 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7404 0.8342 1.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -0.0515 1.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8804 -1.2822 0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -1.5989 -1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7748 -0.0533 -1.3100 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 8 2 1 0 9 6 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 5 16 1 0 5 17 1 0 6 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 M END