HMDB0037726 RDKit 3D Octyl 2-furoate 36 36 0 0 0 0 0 0 0 0999 V2000 -6.1824 0.8217 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2059 -0.3311 -0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 0.2477 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8522 -0.8944 0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4126 -0.4620 0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 0.5683 -0.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4416 0.9961 -0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3612 -0.1938 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7180 0.1987 -0.1781 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7501 -0.7245 -0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5007 -1.9124 -0.4678 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1257 -0.2589 0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 -1.0303 0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3447 -0.2055 0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7889 1.0472 0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4951 0.9678 0.3367 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0748 0.5860 -0.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6635 1.7248 -0.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4315 0.9325 1.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4831 -1.0956 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2682 -0.7936 -1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6037 1.0869 -0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 0.6642 1.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8927 -1.3746 -0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1002 -1.6197 0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8168 -1.4018 0.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2611 -0.1030 1.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9576 0.0996 -1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 1.4754 -0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 1.8070 -1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4572 1.3768 0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3306 -0.5573 -1.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0897 -0.9586 0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2844 -2.0923 -0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3742 -0.5281 0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3789 1.9365 0.7695 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 12 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 13 34 1 0 14 35 1 0 15 36 1 0 M END