HMDB0256080 RDKit 3D Paeonimetabolin-I 28 30 0 0 0 0 0 0 0 0999 V2000 -2.8671 -0.6425 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6192 0.0120 0.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6246 -1.0644 0.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5562 -0.5876 1.4362 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2835 -0.0696 0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7317 -0.4552 0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1996 1.4352 0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 1.9276 0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5411 3.0229 0.6446 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 1.0091 -0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3046 0.3003 -1.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6328 -0.6505 -0.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5243 -1.2323 -1.7029 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1565 -1.6892 -0.2756 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6135 -0.9890 -1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 -1.5020 0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6556 0.1395 -0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8573 0.5373 1.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1058 -1.7908 1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2496 0.1321 1.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1682 -0.0770 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9113 -1.5298 0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5016 1.7314 1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8865 1.8375 -0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 1.5435 -0.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9429 -0.2682 -2.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 1.0485 -2.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8017 -2.1287 -1.4391 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 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 10 2 1 0 14 3 1 0 12 5 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 6 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 13 28 1 0 M END