HMDB0041613 RDKit 3D Bis(1-methylethyl) hexanedioate 38 37 0 0 0 0 0 0 0 0999 V2000 -5.1930 -1.5414 -0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0658 -0.2014 0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1886 0.6834 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8107 0.3149 0.1896 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8755 0.5692 1.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1846 0.3226 2.3642 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5367 1.1190 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7234 -0.0663 0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6574 0.3511 -0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3616 -0.9281 -0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7382 -0.6596 -1.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9242 -0.6072 -2.3082 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8093 -0.4667 -0.2358 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1408 -0.2124 -0.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1420 -1.1626 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4612 1.1798 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0999 -1.3471 -1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1583 -1.9732 0.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -2.1970 0.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2045 -0.3520 1.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2335 1.6074 0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0258 0.9504 -1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1362 0.1518 0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0725 1.4733 1.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5685 1.9368 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3167 -0.4688 -0.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 -0.8785 1.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1981 0.7634 0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6491 1.1237 -0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7581 -1.4169 -1.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -1.6851 0.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2724 -0.2008 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1533 -1.0304 1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0078 -2.2139 -0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1372 -0.8372 -0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5296 1.7400 0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9606 1.0170 0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1476 1.7383 -0.7366 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 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 14 16 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 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 16 38 1 0 M END