HMDB0035238 RDKit 3D Methyl hexanoate 23 22 0 0 0 0 0 0 0 0999 V2000 2.7666 0.6574 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3175 1.0433 0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6011 0.9633 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6335 -0.4376 -1.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0251 -1.4361 -0.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4624 -1.0508 -0.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3504 -1.2941 -1.2925 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8529 -0.4083 0.7289 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 -0.0598 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9778 -0.3415 0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3916 1.3743 0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1366 0.6280 -0.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7838 0.4202 1.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2225 2.0992 0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0925 1.6406 -1.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4359 1.2855 -0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6511 -0.7763 -1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -0.4358 -2.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0348 -2.4094 -1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5141 -1.5327 0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4811 0.0743 1.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8721 -0.8757 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4207 0.8720 0.3339 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 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 9 21 1 0 9 22 1 0 9 23 1 0 M END