HMDB0035671 RDKit 3D 6-Hydroxy-4-heneicosanone 65 64 0 0 0 0 0 0 0 0999 V2000 9.5873 0.9073 -0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0947 0.8814 -0.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5056 -0.4663 -0.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0282 -0.5302 -0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7371 -0.1926 1.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2562 -0.2530 1.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4442 0.6897 0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0018 0.5577 0.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4155 -0.7993 0.7959 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4528 -1.2786 -0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7211 -0.4210 -1.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7389 -0.3232 -1.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4389 -1.6492 -1.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8933 -1.4725 -0.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1079 -0.8459 0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5759 -0.7046 0.8563 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 -1.9323 0.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2252 0.2986 -0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6670 0.4623 0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1635 -0.1823 1.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4981 1.4116 -0.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8968 1.3834 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8244 2.3168 -0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1787 0.5107 0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 1.9846 -0.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8420 0.4244 -1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0160 1.2054 0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6374 1.6865 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0617 -1.1833 0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7743 -0.7945 -1.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6976 -1.5571 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5428 0.1548 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2589 -0.9289 1.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1565 0.8115 1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9105 -1.2938 1.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1349 0.0306 2.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7376 1.7445 0.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5030 0.4947 -0.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3557 1.3342 0.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 0.7700 2.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9103 -1.5695 1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3674 -0.7692 1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4966 -1.4147 -0.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0158 -2.3003 -0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1126 0.6173 -1.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7663 -0.8669 -2.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8075 0.1579 -0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2591 0.3767 -1.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9791 -2.3178 -0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3692 -2.1465 -2.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4155 -0.8442 -1.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4118 -2.4757 -0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6239 -1.4996 1.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 0.1637 0.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6091 -0.2853 1.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5688 -2.6371 1.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1185 0.0714 -1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6697 1.2703 0.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4852 1.1893 -1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0521 2.4320 -0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2764 0.3274 -0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8542 1.5745 1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0485 3.1660 -0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7843 1.7955 -0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3742 2.7332 -1.6119 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 16 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 9 42 1 0 10 43 1 0 10 44 1 0 11 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 13 50 1 0 14 51 1 0 14 52 1 0 15 53 1 0 15 54 1 0 16 55 1 0 17 56 1 0 18 57 1 0 18 58 1 0 21 59 1 0 21 60 1 0 22 61 1 0 22 62 1 0 23 63 1 0 23 64 1 0 23 65 1 0 M END