HMDB0010721 RDKit 3D 3-Oxooctanoic acid 25 24 0 0 0 0 0 0 0 0999 V2000 3.9237 0.4546 -0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 0.5953 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9994 -0.7067 0.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5732 -0.6477 0.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4063 -0.3172 -0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 -0.2815 0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9287 -0.5108 1.6189 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9834 0.0216 -0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1647 0.0224 0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6954 -1.0488 0.8634 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7030 1.2233 0.9233 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0846 0.9092 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5599 1.0532 0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -0.6189 -0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8676 0.9154 -0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3816 1.3980 0.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6228 -0.9311 1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1453 -1.5205 -0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2778 -1.6777 1.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4432 -0.0049 1.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1211 0.6226 -0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3266 -1.1632 -0.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1084 -0.8558 -1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8681 0.9360 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 2.1330 0.5464 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 2 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 8 23 1 0 8 24 1 0 11 25 1 0 M END