HMDB0032387 RDKit 3D (+/-)-Methyl 5-acetoxyhexanoate 29 28 0 0 0 0 0 0 0 0999 V2000 -4.7254 1.2551 -0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0041 0.2046 0.3756 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7263 -0.1603 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2548 0.5017 -0.9993 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0548 -1.2599 0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6658 -1.5603 0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 -0.3807 0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6479 -0.6495 -0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2523 -1.8043 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3716 0.5507 0.1299 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9614 1.2708 -0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7271 2.5352 -0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8257 0.8157 -2.0678 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9992 2.0654 -0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1847 0.8542 -1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4732 1.6080 0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0593 -1.0531 1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6412 -2.2247 0.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -2.4453 0.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6874 -1.8293 -0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1381 0.5353 -0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2755 -0.1812 1.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6449 -0.8779 -1.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3676 -1.6779 0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8816 -1.8862 1.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0446 -2.7727 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9954 3.3696 -0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3376 2.7860 -1.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2919 2.4110 0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 11 13 2 0 1 14 1 0 1 15 1 0 1 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 12 27 1 0 12 28 1 0 12 29 1 0 M END