HMDB0035629 RDKit 3D 6-Hydroxy-8-pentacosanone 77 76 0 0 0 0 0 0 0 0999 V2000 11.3364 -0.2786 0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3748 -1.0140 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9265 -0.5771 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8525 0.8657 -0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6811 1.6670 -0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3797 1.5043 -0.7426 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 0.2233 -0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3191 0.3230 -1.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4346 1.4245 -0.8465 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0623 1.2852 0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3385 -0.0008 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0502 -0.0970 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 -1.4413 0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8693 -1.6674 -0.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9171 -0.6157 -0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2202 -0.6454 1.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2576 0.3986 1.7422 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5407 0.1701 0.9916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6308 0.6142 -0.1219 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6201 -0.5864 1.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8845 -0.6656 0.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8320 -1.4311 1.5251 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4903 0.6850 0.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7012 0.6930 -0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7977 -0.1613 0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0086 -0.0150 -0.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6041 -0.4705 -2.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2009 -0.9315 0.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7891 0.5434 -0.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8732 0.0532 1.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5565 -0.9091 -1.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4218 -2.0930 -0.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3152 -1.2502 -0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8683 -0.8441 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1535 1.0642 -1.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7602 1.3169 0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9313 2.7887 -0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 1.6178 1.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7050 2.2859 -0.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3485 1.8732 -1.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3412 0.0381 0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1729 -0.6923 -0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8573 -0.6694 -1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5093 0.5262 -2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4903 1.4911 -1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 2.4102 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 1.3076 1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3853 2.1269 0.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1034 -0.1111 1.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0284 -0.8245 0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3616 0.7023 0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2493 -0.0515 -1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1027 -2.2677 0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2401 -1.5602 1.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6671 -1.6572 -1.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2535 -2.6580 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5076 0.3640 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8247 -0.7580 -0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 -1.6434 1.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3388 -0.4193 2.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8487 1.3941 1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4637 0.3318 2.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 -1.6153 1.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9238 -0.0830 2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6670 -1.1658 -0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7081 -2.3869 1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7480 1.3772 0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8089 1.1284 1.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1101 1.7435 -0.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4633 0.3359 -1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1575 0.1885 1.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5778 -1.2546 0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2417 1.0824 -0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8307 -0.6108 -0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0861 0.3181 -2.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9243 -1.3455 -2.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5016 -0.7942 -2.6367 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 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 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 6 39 1 0 6 40 1 0 7 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 9 45 1 0 9 46 1 0 10 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 12 51 1 0 12 52 1 0 13 53 1 0 13 54 1 0 14 55 1 0 14 56 1 0 15 57 1 0 15 58 1 0 16 59 1 0 16 60 1 0 17 61 1 0 17 62 1 0 20 63 1 0 20 64 1 0 21 65 1 0 22 66 1 0 23 67 1 0 23 68 1 0 24 69 1 0 24 70 1 0 25 71 1 0 25 72 1 0 26 73 1 0 26 74 1 0 27 75 1 0 27 76 1 0 27 77 1 0 M END