HMDB0036229 RDKit 3D Pentyl hexanoate 35 34 0 0 0 0 0 0 0 0999 V2000 -5.2264 0.5728 1.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0706 -0.4382 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0372 0.0901 -1.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6941 0.2967 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2004 -1.0023 0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 -0.9412 0.7995 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1978 -0.5388 0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1048 -0.2190 -1.0637 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5267 -0.4815 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5668 -0.0052 -0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9165 0.0672 0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9152 0.5473 -0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 0.6224 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2964 0.5192 1.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0965 0.2345 1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3720 1.5673 0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8654 -1.4216 0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0313 -0.5346 -0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4066 1.0621 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9191 -0.6287 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0221 0.6854 -1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7749 1.0720 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2329 -1.7699 -0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -1.3789 0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4884 0.1708 1.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8396 -1.4867 1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -0.7067 -0.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 1.0092 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 -0.9767 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8864 0.7374 1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8944 -0.1870 -1.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6051 1.5320 -0.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0660 0.4266 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3413 1.6315 0.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2889 -0.1270 0.9851 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 10 11 1 0 11 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 9 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 11 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