HMDB0037727 RDKit 3D Furfuryl pentanoate 27 27 0 0 0 0 0 0 0 0999 V2000 -4.3705 0.0466 0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4993 -0.4926 -0.9446 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0924 -0.7419 -0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4079 0.5120 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0008 0.2135 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4515 -0.9518 0.3215 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8324 1.2039 0.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 1.0033 1.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0428 0.4826 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8248 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2230 -0.8553 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3439 0.4598 -1.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 1.2186 -0.7101 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3882 0.1821 -0.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3866 -0.6153 1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0181 1.0847 0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5472 0.2217 -1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -1.4888 -1.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0229 -1.5413 0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5227 -1.0852 -1.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 0.8670 0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4618 1.2570 -0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5596 2.0035 1.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2175 0.3311 2.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0868 -1.6609 0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7107 -1.6739 -1.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9255 0.8443 -2.3640 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 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 2 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