HMDB0034165 RDKit 3D Propyl hexanoate 29 28 0 0 0 0 0 0 0 0999 V2000 -4.2313 -0.5830 -0.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4969 0.6119 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1725 0.1202 0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3469 1.2064 0.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0376 0.6134 1.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7321 0.0061 0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5129 -1.1393 -0.1183 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7423 0.7461 -0.2559 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5414 0.2957 -1.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3243 -0.9497 -0.9805 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2489 -0.7276 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0196 -1.4570 -0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7529 -0.8038 -1.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3157 -0.4084 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0981 1.1461 0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2677 1.3116 -1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6257 -0.3161 -0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3174 -0.6910 1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8671 1.7731 1.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0689 1.9381 0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2721 -0.2090 2.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5713 1.3412 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8888 0.0572 -2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2181 1.0969 -1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6481 -1.8039 -0.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 -1.1926 -1.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4013 0.3743 0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2431 -1.1955 -0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8903 -1.1612 1.1297 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 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 M END