HMDB0033618 RDKit 3D 3-Methylbutyl hexanoate 35 34 0 0 0 0 0 0 0 0999 V2000 5.7719 -0.9811 0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2807 -0.8285 0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6759 -0.1683 -0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1986 0.0494 -0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7955 0.9117 0.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3269 1.0725 1.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2251 1.7624 1.8979 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4438 0.4505 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8542 0.6254 0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 -0.1135 -0.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0409 0.1382 -0.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 -0.5605 -1.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4668 -0.2969 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1674 -0.0738 0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3006 -1.1668 1.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9597 -1.8378 -0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8809 -1.8587 1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1932 -0.2156 1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8205 -0.8915 -1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2394 0.7268 -0.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6726 -0.9226 -0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8567 0.5082 -1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2978 1.8833 1.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0726 0.3861 1.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1903 0.1390 1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 1.6747 0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 0.2696 -2.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -1.1888 -0.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2010 1.2314 -0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8274 0.0554 -2.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9086 -0.6104 -1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5007 -1.5755 -2.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9685 -1.2229 0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5789 -0.3943 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1855 0.5218 1.2594 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 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 M END