HMDB0036188 RDKit 3D Tetrahydrofurfuryl butyrate 28 28 0 0 0 0 0 0 0 0999 V2000 4.3255 0.4924 -0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5499 -0.3953 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5634 -1.2880 -0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5688 -0.5640 0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9807 -0.0769 1.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2433 -0.3806 -0.0439 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5669 0.3500 0.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9675 0.5438 0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7367 -0.7312 0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0226 -0.1275 -0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5564 1.2706 -0.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1419 1.2247 -0.7472 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5369 -0.0616 0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7316 1.4101 0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2908 0.7319 -0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3052 -1.0744 -1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0601 0.1824 -1.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0393 -1.8587 -1.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1097 -1.9859 0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1013 1.3208 1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5814 -0.2331 1.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5059 1.0724 1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2858 -1.3245 -0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -1.3042 1.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3957 -0.6865 -1.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7374 -0.0629 0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9049 1.5297 -1.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8828 2.0266 -0.0646 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 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 7 20 1 0 7 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 M END