HMDB0029456 RDKit 3D Amyl 2-furoate 27 27 0 0 0 0 0 0 0 0999 V2000 -3.9330 1.1048 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6425 0.3088 0.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -0.7415 0.7065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2633 -0.1305 0.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2877 -1.2506 0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9867 -0.8515 -0.3293 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8309 -0.0141 0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 0.4600 1.4408 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 0.3685 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7825 -0.0226 -1.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0139 0.5764 -1.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1066 1.3243 -0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9975 1.1640 0.4688 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8760 1.6837 -0.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0935 0.4005 -1.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1066 1.8157 -0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4175 0.9839 1.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5768 -0.2296 1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4711 -1.2858 1.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9129 -1.4284 -0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4102 0.4993 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8514 0.5466 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2878 -1.8561 1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6738 -1.9516 -0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3261 -0.6832 -2.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7592 0.4744 -2.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9765 1.9379 0.0864 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 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 9 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 10 25 1 0 11 26 1 0 12 27 1 0 M END