HMDB0037529 RDKit 3D Lactaronecatorin A 40 41 0 0 0 0 0 0 0 0999 V2000 0.2302 -2.4325 0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2061 -0.9316 0.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9466 -0.3986 -0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3747 -0.7269 -0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3313 0.1951 -0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1925 1.6397 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8083 2.4215 -0.8539 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6412 -0.4762 -0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3718 -1.7965 -0.6963 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9912 -1.9941 -0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4416 -3.1229 -0.9985 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2309 -0.4845 0.7294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2816 -1.2790 0.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5316 -0.4401 0.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9783 0.8360 -0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7291 0.6318 -1.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8452 2.0152 0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 0.9427 0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1821 -2.7699 1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 -2.8133 1.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0515 -2.8137 -0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6046 -0.5089 1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4637 -0.8817 -1.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7664 0.7091 -0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 1.8062 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1523 1.9733 0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3585 3.1477 -0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2372 -0.4231 0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2521 -0.0043 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2557 -2.3583 0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3058 -0.9098 -0.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8516 -0.2292 1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6482 0.3996 -1.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9886 1.5502 -2.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3056 -0.2593 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9094 1.7110 0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6797 2.7916 -0.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6141 2.3863 1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9479 1.6098 0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9224 1.2876 1.7335 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 2 0 5 6 1 0 6 7 1 0 5 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 2 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 10 4 1 0 18 12 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 13 30 1 0 14 31 1 0 14 32 1 0 16 33 1 0 16 34 1 0 16 35 1 0 17 36 1 0 17 37 1 0 17 38 1 0 18 39 1 0 18 40 1 0 M END