HMDB0031696 RDKit 3D Dibutyl malate 39 38 0 0 0 0 0 0 0 0999 V2000 -5.6854 -1.4452 0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7265 -0.8930 -0.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7183 0.6044 -0.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3468 1.2599 0.6972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 0.8550 1.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 1.1249 0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0313 1.7252 -0.8121 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6428 0.6718 0.7637 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4516 1.0403 -0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 2.3992 -0.4104 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7544 0.4765 0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8192 -0.7562 0.4714 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8503 1.2328 0.5048 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1139 0.9285 0.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0398 0.1666 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6052 -1.1808 -0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7658 -1.7813 -1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3765 -2.4450 0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9541 -0.7499 1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6566 -1.6417 -0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9708 -1.3109 -1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7101 -1.2708 -0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7562 0.9800 -0.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1048 0.9314 -1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0274 1.0502 1.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2784 2.3814 0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4014 1.2240 1.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6003 -0.3992 1.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2058 0.5548 -1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7174 2.5914 -1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1019 0.3738 1.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5824 1.9197 1.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9737 -0.0198 0.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4528 0.7878 -0.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3532 -1.8110 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 -1.1451 -1.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4516 -2.8248 -1.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8315 -1.1677 -2.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6495 -1.7358 -0.5654 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 9 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 10 30 1 0 14 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 17 37 1 0 17 38 1 0 17 39 1 0 M END