HMDB0031007 RDKit 3D 1-Acetoxy-2-hydroxy-16-heptadecyn-4-one 55 54 0 0 0 0 0 0 0 0999 V2000 8.3754 -0.2126 -1.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8859 0.5210 -0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2931 1.4172 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4085 0.6580 1.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -0.0486 0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5034 0.9813 -0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3778 0.3443 -1.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4737 -0.3807 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8541 0.5356 0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0191 -0.2962 1.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -1.0454 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0009 -0.0878 0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0989 -0.9023 -0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0237 0.0224 -1.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3680 -0.2054 -2.2449 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5345 1.2213 -0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0523 1.1379 -0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6344 1.0904 -1.6082 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3944 -0.0399 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7148 -0.1885 0.8631 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7751 -0.4058 0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1845 -0.5437 0.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6023 -0.4967 -1.1957 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7906 -0.8442 -2.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8182 2.2844 -0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1615 1.8472 0.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0123 -0.0726 1.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0026 1.3774 1.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7392 -0.8256 -0.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6393 -0.5456 1.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1872 1.7533 0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1989 1.4557 -1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 1.1504 -1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8133 -0.3810 -1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0225 -1.2346 0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6537 -0.8164 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1935 1.2898 0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6023 1.1005 1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6157 -1.0246 2.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 0.3803 2.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6763 -1.5490 1.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 -1.8338 0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4049 0.5775 1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5311 0.5248 -0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6443 -1.6364 -1.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6117 -1.5112 0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2129 1.3244 0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2068 2.1626 -0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4500 2.0393 0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1713 1.6033 -2.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8144 0.1391 1.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9271 -0.9796 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0933 -1.0188 1.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8457 -1.0617 -0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5760 0.4818 0.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 2 0 1 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 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 22 53 1 0 22 54 1 0 22 55 1 0 M END