HMDB0034134 RDKit 3D Octyl propanoate 35 34 0 0 0 0 0 0 0 0999 V2000 4.1962 1.2377 -0.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0866 0.7687 0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6388 -0.6646 0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2878 -0.8447 0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2744 -0.0466 0.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0968 -0.1723 0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5672 -1.5864 0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8612 -1.8416 -0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 -1.2359 -0.2175 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4877 0.0293 -0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7736 0.8939 -0.8456 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8038 0.4547 0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9672 1.9286 -0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 1.9472 -0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1283 1.8163 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2132 0.3756 -1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 1.4157 1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1482 0.7419 1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3618 -1.3303 0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4607 -0.9789 1.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3817 -0.5631 -1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0659 -1.9299 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5661 1.0416 0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1724 -0.3623 1.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8188 0.4615 0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1039 0.3003 -0.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5248 -2.0504 1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 -2.1630 -0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0309 -2.9731 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6641 -1.7515 -1.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8364 0.2401 1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5895 -0.1178 -0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9694 2.4255 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5462 2.0752 -0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4113 2.4587 0.8583 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 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 M END