HMDB0038729 RDKit 3D 3-Methylbutyl octanoate 41 40 0 0 0 0 0 0 0 0999 V2000 6.2421 -0.1817 -0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2256 0.9186 -0.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9614 0.4710 0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4493 -0.8015 -0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 -1.2862 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -0.2557 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1382 -0.7609 0.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1793 0.3110 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9366 1.3848 0.1209 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4406 0.1542 1.2566 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4743 1.0870 1.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9146 1.4551 -0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4246 0.3228 -1.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4479 -0.7812 -1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6972 -0.2839 -0.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9640 -0.8724 0.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3640 -0.7656 -1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2381 0.2695 -0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6275 1.8471 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9296 1.0497 -1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 1.2834 -0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2105 0.3165 1.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1775 -0.5719 -1.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2415 -1.5921 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4264 -1.5011 1.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8676 -2.2305 -0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4481 0.6595 0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.0369 -0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4967 -1.6957 0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -0.8821 1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3221 0.6893 1.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1663 2.0285 1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0574 1.9083 -0.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7083 2.2138 -0.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6953 0.7396 -2.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9317 -1.4848 -1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5117 -0.4547 -1.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2683 -1.3998 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0405 -1.0314 -1.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4616 0.5227 -0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5675 -0.7624 0.5222 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 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 15 41 1 0 M END