HMDB0039874 RDKit 3D Furfuryl isovalerate 27 27 0 0 0 0 0 0 0 0999 V2000 -3.6579 0.3609 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1988 -0.0218 0.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1423 -1.4780 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7091 0.8299 -0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3057 0.5846 -0.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1073 -0.5534 -1.3039 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6815 1.5861 -0.9715 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0245 1.3298 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6666 0.3147 -0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2626 0.5295 0.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -0.6896 1.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3761 -1.5694 0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7562 -0.9396 -0.7895 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2621 -0.5331 1.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1158 0.7848 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7179 1.1224 1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6436 0.1726 1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7097 -2.0722 0.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1263 -1.8927 0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6365 -1.6129 -0.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9331 1.9001 -0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3305 0.5370 -1.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1013 1.0297 -2.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5389 2.3346 -1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3707 1.4693 1.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2648 -0.8873 2.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6095 -2.6360 0.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 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 2 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 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