HMDB0036421 RDKit 3D (-)-Valeranone 42 43 0 0 0 0 0 0 0 0999 V2000 3.9087 0.2745 -0.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8714 0.5981 0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1273 -0.1444 1.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4789 0.3794 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2228 -1.0148 -0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1783 -1.4921 -0.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 -0.3474 -0.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9449 0.3314 -2.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5439 -0.9257 -0.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2241 -1.1966 0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9194 -0.2609 1.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 0.0565 1.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8061 -0.1315 2.6444 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9158 0.6093 0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6968 1.8963 0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5019 0.9403 0.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8931 0.0570 -0.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0331 1.1999 -1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 -0.5765 -1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9308 1.6997 0.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8063 -1.1969 1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 0.4135 2.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2450 -0.1718 1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4585 1.0468 -1.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8981 -1.7585 -0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4929 -1.1210 -1.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2948 -2.0197 0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4194 -2.2260 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8537 0.2581 -2.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1307 -0.1289 -2.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8134 1.4452 -1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2197 -0.2735 -1.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5026 -1.8919 -1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3289 -1.1871 0.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9885 -2.2349 0.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1854 -0.7500 2.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5319 0.6532 1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5072 1.7166 -0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0575 2.3216 1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9574 2.6533 -0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 2.0602 0.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8508 0.6312 1.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 14 16 1 0 16 4 1 0 14 7 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 8 29 1 0 8 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 15 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 M END