HMDB0032462 RDKit 3D Pentyl 2-furyl ketone 26 26 0 0 0 0 0 0 0 0999 V2000 3.3473 -0.1128 -0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0002 0.3858 -1.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 0.7801 -0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 -0.4127 0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0885 -0.1841 1.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2715 0.2423 1.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7563 0.7728 2.8899 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1795 0.1607 0.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 -0.3369 -0.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2267 -0.1572 -1.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0781 0.4490 -0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4423 0.6169 0.7457 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 -1.2060 -0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 0.0981 -1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6386 0.3779 0.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4931 -0.4968 -1.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0364 1.1777 -2.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6953 1.5566 0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 1.2772 -0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9842 -0.5940 1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7518 -1.3684 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1156 -1.1424 2.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 0.5948 2.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1292 -0.7949 -0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4097 -0.4587 -2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1086 0.7211 -0.5984 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 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 8 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 M END