HMDB0038165 RDKit 3D Acoric acid 43 43 0 0 0 0 0 0 0 0999 V2000 -0.5879 2.9411 2.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9079 2.0515 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7112 2.9272 -0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1303 0.8386 0.9665 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6117 0.7871 1.9692 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0656 -0.3234 0.0813 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3660 -1.0706 -0.0179 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5310 -0.2998 -0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2393 -2.3109 -0.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5408 -3.0184 -0.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9736 -3.5889 -1.9833 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3549 -3.0753 0.1694 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5092 0.0044 -1.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8912 0.6088 -1.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8873 -0.4779 -0.6909 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7840 -0.0755 0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0425 -1.6532 -0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3465 -2.7238 -0.6961 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9386 -1.3352 0.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7671 2.3253 3.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5289 3.0659 2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1267 3.8876 2.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0093 1.8882 0.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3863 2.6819 -1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0489 3.9484 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3215 3.0345 -0.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6088 -1.4132 1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2339 -0.0101 0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2959 0.5099 -1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1909 -0.9965 -1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4351 -2.9863 -0.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0121 -1.9788 -1.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4144 -2.3394 0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7314 -0.9807 -1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1273 0.5812 -1.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2044 1.2721 -1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7899 1.2233 -0.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4952 -0.7107 -1.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2396 0.5113 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7027 0.4354 0.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1115 -1.0129 0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4849 -2.2519 1.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -0.8902 1.5778 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 6 4 1 1 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 6 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 17 19 1 0 19 6 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 3 26 1 0 7 27 1 1 8 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 15 38 1 6 16 39 1 0 16 40 1 0 16 41 1 0 19 42 1 0 19 43 1 0 M END