HMDB0059900 RDKit 3D Propyl decanoate 41 40 0 0 0 0 0 0 0 0999 V2000 5.3183 1.0646 -1.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 1.0407 0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0237 -0.2739 0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -0.3866 -0.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1576 -1.6777 -0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6137 -1.7702 0.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6781 -0.6453 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4844 -0.6511 0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4003 0.5081 0.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5779 0.5257 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 -0.3456 -1.2273 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 1.4727 -0.2322 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6720 1.5023 -1.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5453 0.2742 -1.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1169 0.0491 0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3733 0.0257 -1.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6244 1.6586 -1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3254 1.5599 -1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5613 1.1366 0.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0858 1.9063 0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 -0.2381 1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7504 -1.0895 0.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2963 -0.2942 -1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2343 0.5033 -0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8649 -2.5599 -0.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3235 -1.8393 -1.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4587 -1.7837 1.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0235 -2.7143 1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3151 -0.8120 2.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2095 0.3370 1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0661 -1.5841 0.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0965 -0.5137 -0.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 0.2943 1.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9059 1.4757 0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3216 2.3574 -0.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3936 1.7684 -2.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3450 0.3473 -1.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9287 -0.6045 -1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1758 -0.2371 0.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5690 -0.7615 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9488 0.9745 0.9277 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 1 0 13 14 1 0 14 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 15 41 1 0 M END