HMDB0061646 RDKit 3D 3-Methyl-5-propyl-2-furanundecanoic acid 54 54 0 0 0 0 0 0 0 0999 V2000 -8.2543 2.2509 1.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2882 1.2502 0.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8673 1.6144 1.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9049 0.6288 0.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2505 -0.4489 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0775 -1.1092 -0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9010 -2.3259 -1.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0827 -0.4017 0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6201 -0.7644 0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0327 -0.3641 -1.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4266 -0.7606 -1.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2226 -0.1093 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7099 -0.5087 -0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3836 -0.1355 -1.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7751 -0.5569 -1.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8838 -0.1821 -0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9191 -0.6966 0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1518 -0.2206 1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2339 1.2339 1.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2807 1.6828 2.2036 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3185 2.1651 1.2388 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 0.5899 0.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1256 1.6983 1.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8006 2.8456 2.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5723 2.9632 0.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3448 1.2352 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5231 0.2195 1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5952 2.6123 0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8318 1.5587 2.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2448 -0.7385 -0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9669 -2.8520 -0.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7450 -3.0200 -1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8843 -2.0582 -2.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4573 -1.8381 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1174 -0.2143 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1462 0.7269 -1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5269 -0.9289 -1.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4538 -1.8587 -0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7728 -0.5597 -2.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1904 0.9927 -0.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8701 -0.4224 0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7911 -1.5459 0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1861 0.1144 0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3755 1.0075 -1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7328 -0.4655 -2.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1139 -0.3119 -2.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7182 -1.7151 -1.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9479 0.9532 -0.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8537 -0.5161 -1.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1045 -1.8248 0.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0419 -0.5581 1.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 -0.6539 1.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0575 -0.7023 2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2175 3.0253 1.7388 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 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 8 22 1 0 22 4 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 5 30 1 0 7 31 1 0 7 32 1 0 7 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 15 47 1 0 16 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 18 52 1 0 18 53 1 0 21 54 1 0 M END