HMDB0039219 RDKit 3D 1-Methylbutyl butanoate 29 28 0 0 0 0 0 0 0 0999 V2000 4.3790 0.7431 -0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1431 0.7264 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 -0.1121 -0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8331 -0.1621 0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6709 0.4120 1.2932 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2331 -0.8971 -0.2875 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4422 -0.9855 0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6065 -2.4913 0.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5474 -0.5729 -0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4381 0.8078 -1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4787 1.8131 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1043 0.4473 -1.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8313 1.7686 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1365 -0.0017 -0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3248 0.4535 1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7401 1.7783 0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4643 -1.1532 -0.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8014 0.2480 -1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4578 -0.4136 1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9743 -3.0273 -0.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5988 -2.9144 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2799 -2.6428 1.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5334 -1.2770 -1.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5051 -0.6847 0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5533 0.9625 -1.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3119 1.0650 -1.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7773 1.5119 0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2504 2.8135 -0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5098 1.7848 0.4908 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 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 7 19 1 0 8 20 1 0 8 21 1 0 8 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