HMDB0030029 RDKit 3D Isopentyl isopentanoate 32 31 0 0 0 0 0 0 0 0999 V2000 -4.2632 0.8992 -0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3627 -0.3195 -0.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9265 -1.2738 0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 0.1374 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -0.9729 0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2153 -0.4480 0.5014 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9834 0.4846 -0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5782 0.9137 -1.2709 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2643 1.0114 0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3820 0.0277 0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6204 0.7286 0.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6985 -0.5783 -0.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2079 0.6272 -1.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5794 1.0966 0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8299 1.7707 -1.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3239 -0.7865 -1.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8711 -0.8547 1.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2926 -2.1897 0.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9801 -1.4955 0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1269 0.5541 0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6798 0.9644 -0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3486 -1.7096 0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8829 -1.5113 -0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5453 1.9421 -0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1546 1.3345 1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1199 -0.8011 1.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1794 0.0824 1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2666 0.9966 0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3601 1.6874 1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7428 -1.6931 -0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8889 -0.3568 -1.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 -0.2677 -1.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 10 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 M END