HMDB0033380 RDKit 3D 3-Methylbutyl benzoate 30 30 0 0 0 0 0 0 0 0999 V2000 -3.9039 0.1865 -0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4041 -0.1855 0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1816 0.6302 1.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 0.1295 0.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0425 -0.5797 -0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2864 -0.1946 0.1876 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3178 -0.7106 -0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0653 -1.5002 -1.4842 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6782 -0.3354 -0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 -0.8410 -0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0485 -0.4897 -0.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3233 0.3866 0.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2687 0.8906 1.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9578 0.5398 0.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8907 0.7130 -0.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0985 -0.6968 -1.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2392 0.8882 -1.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5677 -1.2592 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1594 0.1650 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2439 1.6660 1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 0.6396 2.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7338 1.2090 0.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6572 -0.1902 1.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -1.6895 -0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -0.2178 -1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5101 -1.5192 -1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8944 -0.8687 -1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3433 0.6932 0.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4438 1.5887 1.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1369 0.9521 1.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 M END