HMDB0040439 RDKit 3D 1-(2-Furanyl)-1-octanone 32 32 0 0 0 0 0 0 0 0999 V2000 -5.0494 0.6806 -0.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 -0.3754 -0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8114 -0.3731 -0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2343 0.9454 0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 1.0499 -0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0489 0.0344 0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5016 0.2429 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3863 -0.7229 0.8599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9817 -1.6030 1.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8196 -0.6202 0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4802 0.2952 -0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8234 0.0303 -0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9570 -1.0261 0.6951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7739 -1.3601 1.1096 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4590 1.2282 -1.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4139 1.4543 -0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9613 0.2747 -1.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6811 -1.3680 -0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4404 -0.2748 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7254 -0.5103 -1.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3729 -1.2335 0.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3885 1.1186 1.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7896 1.7472 -0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3672 2.0488 -0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6071 0.8369 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2046 -1.0063 0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1277 0.1691 1.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5947 0.0530 -0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8413 1.2689 0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9618 1.0543 -0.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6103 0.5314 -0.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9019 -1.5107 0.9864 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 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 10 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 M END