HMDB0036134 RDKit 3D 4-[(2-Furanylmethyl)thio]-2-pentanone 27 27 0 0 0 0 0 0 0 0999 V2000 -3.4079 1.7952 0.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4836 0.6403 0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4514 0.0852 1.8915 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 0.2375 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7891 -0.9367 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 -2.1116 0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2846 -1.2685 -1.4359 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 0.1043 -1.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3715 0.1891 -0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5919 -0.4383 -0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1172 -0.0905 0.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1973 0.7315 1.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1938 0.8640 0.6313 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2493 1.4244 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8382 2.1137 1.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8449 2.6119 0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3666 -0.0129 -1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0386 1.1109 -0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1191 -0.6430 0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8112 -2.1124 1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -3.0881 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6238 -2.0548 -0.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9811 0.0920 -2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8177 1.0461 -1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0484 -1.0791 -1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0808 -0.4003 1.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 1.1903 2.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 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 4 17 1 0 4 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 6 22 1 0 8 23 1 0 8 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 M END