HMDB0035214 RDKit 3D Emodin 30 32 0 0 0 0 0 0 0 0999 V2000 -4.5106 1.6102 0.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2716 0.7834 0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2586 -0.5627 0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0824 -1.3319 0.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1793 -2.6705 0.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8951 -0.6844 0.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9224 0.6984 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0961 1.4141 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3316 1.4013 -0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2948 2.6527 -0.2621 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5646 0.6370 -0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7398 1.3184 -0.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9124 0.6065 -0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1006 1.2840 -0.9699 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9447 -0.7569 -0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7706 -1.4694 -0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8803 -2.8093 -0.0497 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6036 -0.7333 -0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -1.4121 0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -2.6515 0.3917 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4452 2.4065 -0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6204 2.0257 1.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4073 1.0018 0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 -1.0655 1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5255 -3.3612 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0773 2.4942 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7523 2.3863 -0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7044 1.6461 -0.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8648 -1.3097 -0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2941 -3.5483 0.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 2 0 8 2 1 0 18 11 1 0 19 6 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 5 25 1 0 8 26 1 0 12 27 1 0 14 28 1 0 15 29 1 0 17 30 1 0 M END