HMDB0112102 RDKit 3D 5-pentyl-2-furannonanoic acid 51 51 0 0 0 0 0 0 0 0999 V2000 4.9462 2.6112 -0.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2017 1.6073 -1.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 0.2507 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2481 -0.2439 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7189 -1.6180 0.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2655 -1.6227 0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5772 -1.3939 1.9985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2458 -1.5074 1.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1656 -1.8021 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0356 -2.0297 -0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5017 -0.7386 -1.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7049 -0.8418 -1.9367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9297 -1.3771 -1.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3838 -0.5388 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7065 0.8507 -0.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1563 1.6798 0.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3906 1.1422 1.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4929 1.1225 0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6156 0.2158 -0.5176 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4378 2.1297 0.3446 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3895 -1.8615 -0.1026 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3120 3.5920 -0.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8594 2.6431 -0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5038 2.3984 0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7756 1.9973 -2.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3102 1.5099 -1.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5136 0.3806 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 -0.4107 -1.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3308 -0.3021 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9499 0.4484 1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0232 -2.3294 -0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1956 -1.8520 1.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0236 -1.1663 2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4133 -1.3885 2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8312 -2.4571 0.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2066 -2.8098 -1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3224 -0.3173 -1.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6806 -0.0192 -0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 0.1646 -2.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5032 -1.4855 -2.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8667 -2.4348 -0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7577 -1.3135 -2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6611 -0.5510 0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3069 -1.0199 0.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 1.3618 -0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4978 0.8203 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3061 2.7393 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2863 1.6824 1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2215 0.1087 1.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6864 1.8329 2.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2450 2.1431 0.9548 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 2 0 7 8 1 0 8 9 2 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 9 21 1 0 21 6 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 7 33 1 0 8 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 20 51 1 0 M END