HMDB0302928 RDKit 3D Carnosolic acid 53 55 0 0 0 0 0 0 0 0999 V2000 5.3410 1.5668 -0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5243 0.3167 -0.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1994 -0.9618 -0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1069 0.4147 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1231 0.8382 -0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7587 0.6857 -0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3218 0.1195 0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3207 -0.2977 1.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9141 -0.8515 2.5929 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6503 -0.1586 1.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 -0.5671 2.0285 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0883 -0.1197 0.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1095 -1.3396 1.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6255 -1.3590 2.8008 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4702 -2.4459 1.1498 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7139 0.9968 1.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 1.6899 0.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8394 0.8461 0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3321 -0.4790 -0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9439 -0.7885 -1.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8173 -1.5840 0.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -0.5435 -0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4247 0.1426 -1.6988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2736 1.1013 -1.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 1.0476 -2.8863 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0629 1.4506 0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0158 1.7047 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7595 2.4689 -0.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3631 0.1897 -1.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1818 -0.8964 0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5430 -1.6206 0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2955 -1.6200 -1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4474 1.2968 -1.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5735 -1.1549 3.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5175 -0.9833 2.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -2.3519 0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9906 1.8067 1.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1327 0.6219 2.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4307 2.2110 1.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5103 2.5596 0.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1848 1.4238 -0.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7676 0.6655 0.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6749 -1.6546 -1.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1932 -1.1251 -2.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5615 0.0357 -2.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0709 -1.1493 1.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 -2.0078 0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1292 -2.4169 0.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6055 -1.6263 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2471 0.7253 -2.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1439 -0.5998 -2.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6228 2.1251 -1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0287 1.6513 -3.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 7 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 12 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 10 4 1 0 22 12 1 0 24 6 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 3 32 1 0 5 33 1 0 9 34 1 0 11 35 1 0 15 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 20 43 1 0 20 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 23 50 1 0 23 51 1 0 24 52 1 0 25 53 1 0 M END