HMDB0031127 RDKit 3D 5-Hexyltetrahydro-2-furanoctanoic acid 55 55 0 0 0 0 0 0 0 0999 V2000 -5.9943 -2.0279 2.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4015 -1.1710 1.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1419 -0.6583 0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5067 0.2007 -0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2896 0.7061 -0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3929 1.5442 -0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2111 1.9958 -0.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2344 2.8416 -0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0801 2.3370 -0.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2488 0.8868 -0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5859 0.2447 -2.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0775 0.3110 -1.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -0.3998 -0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 -0.3189 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6890 -0.9480 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1651 -0.9873 -1.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8251 -1.6517 0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6707 -0.9918 1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3017 0.1686 1.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9577 -1.7188 2.4462 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5499 0.9049 -1.3874 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6861 -1.9347 3.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9983 -3.0983 2.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9784 -1.7730 3.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9330 -0.2793 2.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0272 -1.7627 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4830 -1.4872 0.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6153 -0.0028 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 -0.3826 -0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1130 1.0776 0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7334 -0.1890 -1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6008 1.2746 -1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9831 2.3818 0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0392 0.8836 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6129 2.6411 -1.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3613 3.9219 -0.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2527 2.5298 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1688 2.8819 -1.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 2.5405 -0.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 0.3683 0.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3184 -0.8325 -2.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3366 0.6735 -2.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4997 1.3097 -1.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5296 -0.3056 -2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1119 -1.4624 -0.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8275 0.0480 0.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0123 -0.8355 0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0967 0.7417 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3574 -2.0239 -1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4378 -0.4246 -2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5327 -1.4440 -2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5803 0.0668 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9364 -1.7561 -0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4740 -2.7169 0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8909 -1.8972 2.7828 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 1 0 7 8 1 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 2 0 18 20 1 0 10 21 1 0 21 7 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 15 49 1 0 15 50 1 0 16 51 1 0 16 52 1 0 17 53 1 0 17 54 1 0 20 55 1 0 M END