HMDB0040165 RDKit 3D Butyl levulinate 28 27 0 0 0 0 0 0 0 0999 V2000 4.0786 -0.6245 0.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1139 0.7048 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 1.2729 0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7683 0.3349 -0.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4571 0.8557 -0.5779 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 0.1561 -1.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3158 -0.9472 -1.7136 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9121 0.7015 -1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6907 0.0303 -0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0869 0.4731 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9537 -0.1178 1.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5007 1.3077 -0.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3715 -0.5316 1.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0589 -0.8967 1.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7025 -1.3816 0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4659 0.6038 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8017 1.3790 0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3989 1.3881 1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7054 2.2961 -0.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7803 -0.6246 0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1759 0.1616 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3978 0.4192 -2.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9265 1.8046 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1379 0.1396 0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7124 -1.0702 -0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3161 -1.1084 0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3304 -0.3307 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7667 0.5639 1.2713 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 10 12 2 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 11 26 1 0 11 27 1 0 11 28 1 0 M END