HMDB0031293 RDKit 3D 2,3-Octanedione 24 23 0 0 0 0 0 0 0 0999 V2000 -3.2519 1.0433 -0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0717 -0.3388 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7723 -0.9697 -0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5752 -0.1643 0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7266 -0.7935 -0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8347 0.1000 0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5442 1.1683 0.8652 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2258 -0.2227 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2835 0.6691 0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5313 -1.2570 -0.6274 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8031 1.1325 -1.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8377 1.8211 0.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3412 1.2462 -0.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9171 -0.9521 -0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1197 -0.2603 1.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7334 -1.2118 -1.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7068 -1.9483 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6439 0.8320 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5408 -0.0198 1.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -1.7998 0.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8363 -0.8522 -1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2952 0.3558 0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0701 1.7283 0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1824 0.6936 1.6092 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 8 10 2 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 9 22 1 0 9 23 1 0 9 24 1 0 M END