HMDB0040430 RDKit 3D Isopropyl hexanoate 29 28 0 0 0 0 0 0 0 0999 V2000 3.5800 1.1511 -1.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8343 0.7023 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4202 -0.7373 -0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6757 -1.3038 0.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -0.6041 1.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5895 -0.6048 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3531 -1.1698 -0.8929 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8303 0.0048 0.3358 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7319 -0.0314 -0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0601 -0.6521 -0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0192 1.4159 -1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6353 0.8452 -1.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5774 2.2687 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0415 0.7909 -2.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4896 0.8138 0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 1.3738 0.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9162 -0.8146 -1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 -1.3113 -0.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3714 -1.4051 1.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3797 -2.3521 0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -1.1112 2.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6319 0.4481 1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3574 -0.5713 -1.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8222 -0.2090 -1.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9986 -1.7368 -0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3433 -0.4670 0.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7527 1.4448 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3928 1.9777 -0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0297 1.8448 -1.4325 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 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 M END