HMDB0034457 RDKit 3D Propyl heptanoate 32 31 0 0 0 0 0 0 0 0999 V2000 -4.9839 -0.7235 -0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2807 0.3457 0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8174 0.0276 0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -0.1637 -0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5956 -0.4727 -0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0798 0.6523 0.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5209 0.3688 0.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 -0.7322 1.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5571 1.2334 0.4595 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 0.9240 0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4392 -0.2980 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4085 -0.2895 -1.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0026 -0.3516 -0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4855 -0.9125 -1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0609 -1.6478 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3703 1.3290 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8172 0.4683 1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7729 -0.9035 1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4016 0.8680 1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1751 0.7150 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4968 -1.0166 -1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0207 -0.6357 -1.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5407 -1.3852 0.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0444 1.6288 0.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4005 0.6929 1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5268 1.7792 0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1421 0.8796 1.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0234 -1.2468 0.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5266 -0.3441 0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8651 0.6154 -1.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9961 -1.2091 -1.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 -0.1956 -1.8606 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 11 12 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 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 10 26 1 0 10 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