HMDB0059891 RDKit 3D Isoamyl 2-furoate 27 27 0 0 0 0 0 0 0 0999 V2000 -3.0671 0.8972 1.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8229 0.1254 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7283 -1.0530 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3588 -0.2556 -0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5564 1.0279 -0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 0.8242 -0.4361 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6078 0.1277 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0464 -0.3794 1.4509 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0585 -0.0387 0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8972 -0.7265 1.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -0.6592 0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0452 0.0845 -0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7772 0.4152 -0.7212 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8144 1.9709 0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1358 0.8210 1.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4771 0.4453 1.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0221 0.8279 -1.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2947 -1.7581 -1.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6813 -0.6868 -0.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0057 -1.5372 0.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1252 -0.8739 0.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2304 -0.8471 -1.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 1.6040 0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8914 1.6443 -1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6308 -1.2372 2.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -1.0875 0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8796 0.3246 -1.2494 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 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 3 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