HMDB0031625 RDKit 3D 1-Phenyl-2-pentanol 28 28 0 0 0 0 0 0 0 0999 V2000 -4.2561 0.2420 -0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8194 -0.2224 -0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9916 0.6068 0.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5401 0.2466 0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3563 -1.0659 1.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1388 0.5606 -0.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5733 0.1660 -0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 1.0407 -0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8785 0.7117 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.5784 -0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3113 -1.4627 -0.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9885 -1.1074 -0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3620 1.2936 0.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7631 -0.3604 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8138 0.0499 -1.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7991 -1.2922 0.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5076 -0.1584 -1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3805 0.4365 1.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1355 1.6796 0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0421 0.8806 1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7511 -1.6438 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0927 1.6293 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -0.0475 -1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2177 2.0409 0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6034 1.4430 0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3155 -0.8157 -0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6315 -2.4559 -1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2635 -1.8172 -1.2282 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 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 8 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 M END