HMDB0038005 RDKit 3D xi-2-Hexyl-5-methyl-3(2H)-furanone 31 31 0 0 0 0 0 0 0 0999 V2000 4.3242 0.0341 0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2106 0.2534 -0.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1877 -0.8356 -0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4959 -0.9880 0.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7479 0.2154 1.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3395 0.6356 0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3792 -0.4392 -0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3832 -0.0160 -1.0589 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5615 0.2751 -0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7825 0.9027 -1.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4742 -0.0762 0.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1546 -0.6427 1.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7475 -1.1991 2.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9878 0.1642 1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1490 0.7363 0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7335 -0.9864 0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7017 0.2020 -1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7853 1.2704 -0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7079 -1.7935 -0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4801 -0.6733 -1.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2428 -1.3291 1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7744 -1.8256 0.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3801 1.1018 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2758 -0.0326 1.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8577 1.5217 0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0882 0.9461 -0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9743 -1.4037 -0.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9644 0.4416 -2.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6827 0.6395 -0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6984 2.0040 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2731 0.0437 1.6226 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 1 0 9 10 1 0 9 11 2 0 11 12 1 0 12 13 2 0 12 7 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 10 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 M END