HMDB0031638 RDKit 3D Pentyl propanoate 26 25 0 0 0 0 0 0 0 0999 V2000 -3.5954 1.5848 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0661 0.1893 0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6574 0.0675 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2251 -1.3853 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1892 -1.5725 -0.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -0.7710 0.2099 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -0.8272 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8397 -1.5537 -1.0827 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4397 -0.0018 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 1.2805 -0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1424 2.1765 -0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5028 2.1378 1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6846 1.5360 0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7014 -0.4591 -0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1271 -0.1479 1.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9299 0.6891 0.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6412 0.3050 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8792 -2.0671 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -1.7364 1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2466 -1.3519 -1.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4954 -2.6216 -0.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1118 0.2014 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4148 -0.5493 0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 2.1773 0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8068 1.3851 -0.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1381 1.3143 -1.1228 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 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 M END