HMDB0037306 RDKit 3D Pentyl decanoate 47 46 0 0 0 0 0 0 0 0999 V2000 -5.3392 2.7815 0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4731 1.7731 -0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9896 0.4149 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2606 -0.7154 -0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8142 -0.8270 -0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2544 -2.0262 -1.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8036 -2.2539 -0.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5338 -2.4989 0.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9619 -2.7280 0.9376 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6382 -1.4716 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6933 -0.4378 1.1687 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2263 -1.4350 -0.7881 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8683 -0.3024 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0373 0.1684 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5948 1.4019 -1.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7963 1.9207 -0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3949 2.2882 1.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7309 2.3801 1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8233 3.7572 0.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2206 2.9790 -0.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4407 1.8970 0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4998 2.0507 -1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0513 0.3661 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0286 0.3053 1.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3424 -0.6532 -1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7548 -1.6630 -0.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7023 -1.0288 0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1984 0.0317 -0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3643 -1.8856 -2.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8363 -2.9576 -0.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2129 -1.3868 -1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5044 -3.1753 -1.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7993 -1.5881 1.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0748 -3.4003 1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2971 -3.5539 0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1157 -2.8979 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1477 0.5310 -1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2612 -0.5535 -2.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8388 -0.5924 -0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 0.3926 0.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 2.2183 -1.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8622 1.1775 -2.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2095 2.7632 -0.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5928 1.1279 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2121 2.9264 1.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4993 2.9502 0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1718 1.4293 1.6584 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 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 17 47 1 0 M END