HMDB0034162 RDKit 3D Pentyl butanoate 29 28 0 0 0 0 0 0 0 0999 V2000 -4.8202 0.0533 0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3206 0.2109 0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6832 0.3205 -1.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2002 0.4993 -0.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5905 -0.6726 -0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8321 -0.5385 -0.1142 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4557 0.4831 0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 1.3548 1.1003 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9592 0.5345 0.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5596 -0.6413 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0540 -0.5449 -0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3035 -0.3744 0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0438 -0.5581 -0.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2514 1.0771 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9551 -0.6289 0.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1188 1.1562 0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1178 1.1413 -1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8764 -0.6332 -1.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7413 0.5741 -1.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0255 1.4624 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0408 -0.9524 0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7265 -1.5572 -0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 0.5323 1.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2686 1.4884 0.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1677 -0.7564 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2573 -1.5541 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3243 0.5125 -0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3263 -0.7269 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5687 -1.2615 -0.7014 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 2 0 7 9 1 0 9 10 1 0 10 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 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 11 29 1 0 M END