HMDB0040166 RDKit 3D Decyl acetate 38 37 0 0 0 0 0 0 0 0999 V2000 4.4911 2.0878 0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0329 0.7199 0.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 -0.3156 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7597 -0.1511 0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8444 -1.1406 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3982 -0.9436 0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4289 -1.9314 -0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8698 -2.0365 -0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -0.9662 -0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5734 0.3430 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5948 1.3017 -0.2373 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9141 1.1677 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9539 2.1777 -0.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3034 0.1454 0.6913 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2632 2.8785 0.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 2.0813 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 2.3021 1.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9056 0.5904 1.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0882 0.5931 0.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5600 -1.3344 0.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2463 -0.1634 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7311 -0.2382 1.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4537 0.8980 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8693 -0.9227 -1.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2156 -2.1468 -0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4738 -1.2562 1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1448 0.0963 0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2336 -1.8455 -1.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0314 -2.9508 -0.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2722 -3.0425 -0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0594 -2.2274 0.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8763 -0.8245 -1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8636 -1.3624 -0.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3057 0.2890 1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6884 0.8016 -0.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5900 2.2928 0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5263 3.1767 -0.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6207 1.8565 -1.0720 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 1 0 11 12 1 0 12 13 1 0 12 14 2 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 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 13 36 1 0 13 37 1 0 13 38 1 0 M END