HMDB0040295 RDKit 3D Butyl pentanoate 29 28 0 0 0 0 0 0 0 0999 V2000 -4.8029 1.0646 0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9764 -0.1598 0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5547 0.2405 -0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7511 -0.9925 -0.5535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4174 -0.7249 -0.8591 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4404 -0.1012 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0151 0.2430 1.1426 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 0.1447 -0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7537 -0.9071 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1706 -0.5988 -0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5307 0.7653 0.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8723 0.9137 0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4193 1.9529 -0.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7334 1.3139 1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4434 -0.7183 -0.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0376 -0.8156 0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5967 0.8518 -1.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1535 0.8725 0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2207 -1.4689 -1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8608 -1.7664 0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9768 0.2174 -1.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1674 1.1334 0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7285 -0.8643 1.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4061 -1.8838 -0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8787 -1.3907 0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1422 -0.5874 -1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 0.8355 0.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1148 1.5174 -0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0484 0.9131 1.2558 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 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