HMDB0031073 RDKit 3D 12-Methyl-13-tridecanolide 42 42 0 0 0 0 0 0 0 0999 V2000 4.0822 -1.3663 0.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8084 -0.7737 -0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7982 0.7058 0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 1.4372 -0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8459 2.1091 0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 2.8453 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2475 2.0810 -0.8722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5711 1.7204 -0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0429 0.3492 -0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8872 -0.6017 0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -2.0217 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -2.5547 0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4371 -2.4005 -0.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7455 -3.0836 -1.7206 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6172 -1.5449 -0.6345 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5935 -1.4819 0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9196 -1.1696 -0.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 -0.8480 1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9440 -2.4705 0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7886 -0.8863 -1.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7695 1.1320 -0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7038 0.7398 1.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0666 2.2095 -1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1219 0.7080 -1.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5171 2.8856 0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6184 1.3989 1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9499 3.1467 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0059 3.8185 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8602 1.1625 -1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5173 2.7471 -1.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 1.7562 0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 2.4613 -0.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4388 -0.0388 -1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1021 0.3865 -0.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 -0.4832 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0173 -0.2465 1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4893 -2.6966 0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8095 -2.0664 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9099 -2.0458 1.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4491 -3.6436 0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2941 -0.9019 1.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9328 -2.4742 0.7162 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 2 0 13 15 1 0 15 16 1 0 16 2 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 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 16 41 1 0 16 42 1 0 M END