HMDB0039842 RDKit 3D Butter acids 33 34 0 0 0 0 0 0 0 0999 V2000 0.1417 -2.3290 0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -0.8912 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4092 -1.0425 2.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2285 -0.2633 -0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4429 -0.9147 -0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5412 -2.5841 0.3339 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.6198 -0.3253 -0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1284 -1.2188 -0.5783 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.6242 0.9809 -0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8252 1.5457 -1.4013 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4452 1.6617 -0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4272 3.3231 -1.4574 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2618 1.0487 -0.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1371 2.1177 -0.3706 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -0.2157 0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -0.0953 -0.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8514 -0.7695 -2.2440 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9552 0.5025 -1.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 0.6026 -2.8560 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7279 1.0304 -0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9410 1.6393 -0.4995 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2633 0.9410 1.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 1.5970 2.4161 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0316 0.3215 1.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6004 0.3112 3.0512 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3263 -2.5465 -0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2284 -2.4777 -0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1136 -3.0699 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 -1.6550 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 -0.1046 2.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3169 -1.6246 2.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9004 2.4906 -1.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4735 2.0140 0.2714 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 2 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 2 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 2 0 24 25 1 0 13 4 1 0 24 15 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 10 32 1 0 21 33 1 0 M END