HMDB0041618 RDKit 3D Diisobutyl adipate 44 43 0 0 0 0 0 0 0 0999 V2000 -7.2283 -0.5135 -0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8191 -0.0249 -0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9178 1.3627 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9680 -0.0422 -1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6606 0.3943 -1.1756 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8359 -0.2632 -0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2276 -1.2762 0.2854 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4256 0.2224 -0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7989 -0.7179 0.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6029 -0.2571 1.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.2570 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 0.1838 0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1843 0.4898 1.3597 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6596 0.2306 -0.8374 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9913 0.5843 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 -0.3044 -0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8118 -0.5321 1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3591 0.3054 -0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1759 -1.2831 -1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7712 0.4075 -0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6752 -0.8788 0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4320 -0.7237 0.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8079 1.3763 1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9987 1.6418 0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1269 2.1059 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3989 0.6178 -2.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9007 -1.0789 -1.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9341 0.1372 -1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4379 1.2374 0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7523 -1.7438 0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3978 -0.7645 1.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -0.9609 1.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 0.7483 1.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0087 0.5008 -0.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3741 -1.2466 -0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2879 0.5860 -1.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1451 1.6714 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9230 -1.3021 -0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0970 -1.3266 1.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7743 0.3789 1.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8211 -1.0003 1.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -0.2182 0.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2471 1.3718 -0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5835 0.1616 -1.4628 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 2 0 6 8 1 0 8 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 15 16 1 0 16 17 1 0 16 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 18 44 1 0 M END