HMDB0061649 RDKit 3D 3,4-Dimethyl-5-pentyl-2-furantridecanoic acid 69 69 0 0 0 0 0 0 0 0999 V2000 -7.5668 -1.4563 2.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0949 -1.1600 2.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7784 0.2830 2.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0066 0.6584 0.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2224 0.0393 -0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7707 0.2911 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2184 1.2200 -0.9959 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9263 1.2715 -0.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9616 2.1938 -1.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2787 1.3689 -2.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7234 2.1286 -3.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8532 2.7036 -2.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 1.6183 -1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 0.6173 -2.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 -0.4626 -2.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1662 -1.2374 -1.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9942 -2.3059 -0.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1767 -1.7735 0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7933 -0.8209 1.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0988 -0.3755 1.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8395 0.5546 3.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7858 1.0335 3.7259 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5526 0.9698 3.4512 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5935 0.3104 0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2218 -0.0019 0.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7838 -0.3213 0.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8057 -1.4332 1.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6968 -1.7889 1.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2160 -0.5866 2.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8070 -2.3520 2.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5238 -1.8993 2.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9433 -1.2876 3.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5378 0.8728 2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8150 0.6122 2.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9019 1.7958 0.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1204 0.5425 0.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7031 0.3500 -1.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4435 -1.0711 -0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 3.0301 -1.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2124 2.5532 -0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 0.4515 -2.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 0.9988 -3.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1921 2.9687 -3.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.4648 -4.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 3.3566 -1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4685 3.3151 -3.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9206 1.0777 -1.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 2.1056 -1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9201 1.1008 -3.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4327 0.1301 -3.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4433 -1.1798 -2.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 0.0094 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2435 -1.6588 -1.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.5123 -0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3223 -3.0075 -1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3534 -2.8975 0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -1.2685 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -2.6099 0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 -1.2869 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3272 0.0587 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7087 0.0592 1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6442 -1.3002 2.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4038 1.8439 3.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2957 -0.7639 -0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2564 -0.3548 1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4019 0.9222 0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 -1.1115 2.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7577 -1.8182 1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4234 -2.2691 1.0661 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 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 8 24 2 0 24 25 1 0 24 26 1 0 26 27 1 0 26 6 2 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 14 50 1 0 15 51 1 0 15 52 1 0 16 53 1 0 16 54 1 0 17 55 1 0 17 56 1 0 18 57 1 0 18 58 1 0 19 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 23 63 1 0 25 64 1 0 25 65 1 0 25 66 1 0 27 67 1 0 27 68 1 0 27 69 1 0 M END