HMDB0037730 RDKit 3D Furfuryl octanoate 36 36 0 0 0 0 0 0 0 0999 V2000 -3.8889 2.6428 0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1314 1.3303 0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8088 0.2124 -0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3653 -1.1668 -0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0196 -1.6294 -0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8369 -1.0783 0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3922 -1.8262 -0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -1.3182 0.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5791 -0.4234 1.2119 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8278 -1.8479 -0.0491 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0504 -1.4370 0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2288 0.0074 0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8426 0.5983 -0.8465 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7716 1.9422 -0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1163 2.1449 0.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8192 0.9566 1.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6031 2.9838 -0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9828 2.4540 0.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6102 3.4300 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1234 1.4927 -0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1097 1.2760 1.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 0.2537 0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8828 0.4605 -1.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5934 -1.4882 0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1056 -1.8196 -0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0054 -2.7547 -0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8485 -1.6396 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8898 -1.3329 1.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 -0.0396 0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2685 -2.9014 -0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4534 -1.6038 -1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8595 -1.9779 -0.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1705 -1.7082 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2724 0.0384 -1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1527 2.7007 -1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8794 3.0684 1.0351 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 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 12 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 11 32 1 0 11 33 1 0 13 34 1 0 14 35 1 0 15 36 1 0 M END