HMDB0002358 RDKit 3D Carnosic acid 52 54 0 0 0 0 0 0 0 0999 V2000 4.9129 1.2853 1.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6502 0.2531 0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1406 -1.0998 0.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 0.1284 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2579 0.7145 0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9078 0.5821 0.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4465 -0.1833 -0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4077 -0.7699 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9866 -1.5210 -2.3368 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7578 -0.6371 -1.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7241 -1.2272 -1.8964 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0034 -0.3293 -0.6294 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3024 -0.8329 -1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5819 0.0787 -2.8466 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3278 -2.1079 -2.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3854 -1.4945 0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8297 -1.8326 0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6856 -0.7539 -0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2559 0.6129 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 1.5910 -0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5877 0.9161 1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 0.8948 -0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1948 1.8583 0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1038 1.2431 1.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0171 1.4175 1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4637 2.2364 1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5502 0.8515 2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2117 0.5462 -0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7712 -1.8741 0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2247 -1.1151 0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6617 -1.2126 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5772 1.3230 1.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5964 -1.9714 -2.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4721 -1.7770 -2.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3123 -2.9704 -1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0063 -1.3569 1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8079 -2.3636 -0.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0668 -2.7741 -0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2226 -2.0263 1.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7516 -0.9361 -0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7027 -0.8448 -1.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9028 2.6361 -0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2123 1.3542 -0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8658 1.4240 -1.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.9526 1.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4913 0.2729 1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8249 0.5991 2.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8525 1.4500 -1.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9685 2.2424 1.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7659 2.7503 0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 0.6715 2.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4469 2.1258 1.9350 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 6 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 10 4 1 0 22 12 1 0 24 6 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 5 32 1 0 9 33 1 0 11 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 18 40 1 0 18 41 1 0 20 42 1 0 20 43 1 0 20 44 1 0 21 45 1 0 21 46 1 0 21 47 1 0 22 48 1 0 23 49 1 0 23 50 1 0 24 51 1 0 24 52 1 0 M END