HMDB0031295 RDKit 3D Ethyl pentyl ketone 25 24 0 0 0 0 0 0 0 0999 V2000 3.9298 0.2350 0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4872 0.5905 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -0.5219 -0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3033 -0.1322 -0.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4622 0.1990 0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8425 0.5598 -0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1827 1.6965 -0.3818 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8911 -0.4918 -0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8253 -0.3515 0.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 0.2484 -0.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0493 -0.7464 0.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3368 1.0716 0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5124 1.4517 -0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0079 0.8762 0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7803 -1.4077 -0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1604 -0.8276 -1.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2528 -0.9108 -1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3162 0.7700 -1.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0382 1.0746 0.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5596 -0.6823 0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4637 -1.5256 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 -0.3362 -1.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 0.7280 1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4465 -0.9714 1.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8760 -0.5961 0.6417 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 8 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 9 25 1 0 M END