HMDB0112075 RDKit 3D 5-Heptyl-3-methyl-2-furanundecanoic acid 66 66 0 0 0 0 0 0 0 0999 V2000 -7.6367 -1.9369 0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1383 -0.6120 0.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2175 0.5317 0.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5931 1.0248 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7493 0.0148 -1.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0796 0.5662 -2.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1464 1.7140 -2.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0485 1.2603 -1.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0717 1.3320 0.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8822 0.8150 0.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4658 0.6880 2.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 0.4501 -0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1779 -0.1625 -0.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2338 0.8563 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6502 0.2229 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9838 -0.4405 -1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 -1.0417 -1.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8354 -2.1357 -0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0762 -1.8720 0.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0249 -0.7176 0.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3685 -0.9252 0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2520 0.2509 0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7777 1.5241 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7749 1.7340 -0.5716 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5377 2.6742 0.4379 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9122 0.7312 -1.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0507 -2.7703 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5608 -2.0969 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0460 -2.1644 -0.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0825 -0.3137 0.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5253 -0.7494 1.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7781 1.3897 1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4066 0.3363 1.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9254 1.9108 -0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4070 1.4176 -1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3664 -0.8429 -1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0269 -0.4467 -0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5275 -0.3092 -2.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8766 0.8065 -2.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7086 2.5318 -1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7051 2.0103 -2.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8331 1.7070 0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3749 0.7609 2.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8201 1.5466 2.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0007 -0.2846 2.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -1.0153 0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3489 -0.5633 -1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0764 1.2216 0.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2829 1.6638 -0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3078 1.0054 0.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 -0.5173 0.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 0.1982 -2.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2153 -1.2881 -1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1285 -0.2356 -1.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3335 -1.3392 -2.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8293 -2.4387 -1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2443 -3.1074 -0.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -2.7704 1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2155 -1.7623 1.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1671 -0.5720 2.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5782 0.2076 0.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8883 -1.8287 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3242 -0.9782 -0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2798 0.3244 1.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3190 0.0341 0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4734 2.7755 0.0436 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 2 0 9 10 1 0 10 11 1 0 10 12 2 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 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 12 26 1 0 26 8 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 9 42 1 0 11 43 1 0 11 44 1 0 11 45 1 0 13 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 15 50 1 0 15 51 1 0 16 52 1 0 16 53 1 0 17 54 1 0 17 55 1 0 18 56 1 0 18 57 1 0 19 58 1 0 19 59 1 0 20 60 1 0 20 61 1 0 21 62 1 0 21 63 1 0 22 64 1 0 22 65 1 0 25 66 1 0 M END