HMDB0032324 RDKit 3D Hexyl decanoate 50 49 0 0 0 0 0 0 0 0999 V2000 6.4844 0.5271 1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0361 0.9128 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 0.1427 -0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0390 0.2719 -0.8268 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0304 -0.0900 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5859 0.0647 -0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3062 -0.8026 -1.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -0.6277 -1.9579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0939 -1.0066 -0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4975 -0.8304 -1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7277 -0.4243 -2.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5883 -1.1004 -0.5173 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9007 -0.9199 -1.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9268 -1.2771 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8087 -0.4439 1.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9863 1.0261 1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3227 1.3697 0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4802 0.9699 1.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8209 1.2977 2.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3626 0.4278 2.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9510 -0.4345 1.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8165 2.0029 0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1682 0.8624 0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0348 0.4484 -1.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7890 -0.9422 -0.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 1.3423 -1.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7816 -0.3035 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0648 0.5936 1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0921 -1.1351 0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -0.2553 0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4479 1.1317 -0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9266 -0.4379 -2.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -1.8598 -1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7547 0.4510 -2.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7045 -1.2181 -2.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0194 -0.2268 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1029 -1.9994 -0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0302 -1.6732 -1.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9925 0.1114 -1.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9505 -1.3194 -0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6941 -2.3348 0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5966 -0.7620 1.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8343 -0.6226 1.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9117 1.5376 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2106 1.4629 0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4909 0.8980 -0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3664 2.4801 0.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4079 1.1315 0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4851 -0.0853 1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5990 1.6686 2.1940 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 2 0 10 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 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 16 44 1 0 16 45 1 0 17 46 1 0 17 47 1 0 18 48 1 0 18 49 1 0 18 50 1 0 M END