HMDB0035628 RDKit 3D 6-Hydroxy-8-hexacosanone 80 79 0 0 0 0 0 0 0 0999 V2000 11.0810 -0.0977 1.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3332 0.9813 2.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2705 0.5230 3.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1660 -0.3131 2.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2310 0.1407 1.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7493 0.3598 0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7793 0.9237 -0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 0.2683 -1.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4335 0.0812 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2781 -0.6068 -0.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1267 -0.8393 0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9838 -1.4930 -0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4796 -0.6217 -1.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6806 -1.3551 -2.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2415 -0.5368 -3.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7524 0.8017 -3.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8419 0.6921 -2.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0614 -0.0442 -2.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0506 -0.0735 -1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9488 -0.9577 -0.6157 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1199 0.9430 -1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9353 0.5809 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4386 -0.7016 -0.2849 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9690 1.6184 0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7764 1.3529 1.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5446 0.0751 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3719 -0.0656 2.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1430 -1.3563 2.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3391 -0.7373 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7346 0.3576 0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7239 -0.6999 2.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1575 1.4258 2.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0857 1.8340 1.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7994 -0.0279 4.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8735 1.4315 3.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4824 -1.3625 2.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5052 -0.5104 3.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5303 0.9456 1.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5217 -0.7729 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0234 -0.6791 -0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7148 0.9167 0.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4823 1.9936 -0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3556 1.2001 -1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7806 -0.7401 -1.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0931 0.8304 -1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0399 1.0862 0.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5883 -0.4860 0.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6904 -1.5327 -1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0178 0.0644 -1.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4697 -1.5242 0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.0999 0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1497 -1.6260 0.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3139 -2.4510 -1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 0.3538 -1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2455 -0.4684 -2.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4149 -1.5674 -1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3382 -2.3250 -2.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9904 -1.1088 -4.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3961 -0.3455 -4.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9342 1.4043 -2.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1852 1.2994 -4.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1889 1.7474 -1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4983 0.2986 -1.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4967 0.4664 -3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8819 -1.0854 -2.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8350 0.8993 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6775 1.9523 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2503 0.5002 0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5078 -0.8692 -1.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6749 1.6311 -0.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4881 2.6456 0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4538 2.2228 1.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0791 1.3481 2.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2606 0.0787 0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9313 -0.8343 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0094 0.8332 2.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6708 -0.0723 3.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5337 -2.1927 3.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4328 -1.5724 1.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0932 -1.2060 3.1969 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 7 43 1 0 8 44 1 0 8 45 1 0 9 46 1 0 9 47 1 0 10 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 12 53 1 0 13 54 1 0 13 55 1 0 14 56 1 0 14 57 1 0 15 58 1 0 15 59 1 0 16 60 1 0 16 61 1 0 17 62 1 0 17 63 1 0 18 64 1 0 18 65 1 0 21 66 1 0 21 67 1 0 22 68 1 0 23 69 1 0 24 70 1 0 24 71 1 0 25 72 1 0 25 73 1 0 26 74 1 0 26 75 1 0 27 76 1 0 27 77 1 0 28 78 1 0 28 79 1 0 28 80 1 0 M END