HMDB0030978 RDKit 3D 11-Oxohexadecanoic acid 49 48 0 0 0 0 0 0 0 0999 V2000 7.8777 0.4626 0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0903 0.5127 -0.7751 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6046 0.5946 -0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1874 -0.5969 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7425 -0.6004 0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 -0.6022 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1391 -0.6285 -1.4966 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -0.5692 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5538 -0.5657 -1.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9209 -0.5432 -1.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3489 0.6734 -0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8642 0.7031 -0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3414 -0.4927 0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8485 -0.4335 0.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5845 -0.4165 -0.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0675 -0.3652 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4277 0.8482 0.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2909 0.9402 1.7382 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9444 1.9340 -0.1998 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3598 -0.5197 0.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2773 0.8377 1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7370 1.1871 0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2312 -0.3821 -1.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3013 1.4134 -1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9816 0.6987 -1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4425 1.5412 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3645 -1.5555 -0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8233 -0.6469 1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 0.2535 1.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5936 -1.5054 1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0881 0.2873 0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 -1.5324 0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8109 -1.5405 -1.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9229 0.2153 -2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4236 -0.5287 -2.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2013 -1.4933 -0.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1069 1.5625 -1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8452 0.8307 0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1057 1.6532 0.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2795 0.7223 -1.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1530 -1.4014 -0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9043 -0.5871 1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0457 0.5530 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1819 -1.2774 1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2911 0.5348 -1.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3171 -1.2733 -1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6646 -0.3959 -1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3354 -1.3062 0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4377 2.8008 -0.1512 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 6 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 2 0 17 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 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 19 49 1 0 M END