HMDB0002899 RDKit 3D Ellagic acid 28 31 0 0 0 0 0 0 0 0999 V2000 0.4486 3.0259 -2.0044 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0521 2.0312 -1.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2342 1.8225 -1.0988 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6835 0.8051 -0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0405 0.5890 -0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9678 1.4705 -0.6725 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4606 -0.4951 0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8210 -0.7263 0.8207 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5161 -1.3575 1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1596 -1.1511 0.8338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1771 -1.9941 1.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5699 -2.9895 1.9895 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 -1.7887 1.0854 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5531 -0.7703 0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9177 -0.5622 0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8275 -1.4518 0.6704 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3616 0.5148 -0.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6954 0.7836 -0.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3806 1.3837 -1.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0358 1.1910 -0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6174 0.1037 -0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7364 -0.0651 0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6763 2.2801 -1.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1078 -1.5279 1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8185 -2.2087 1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8083 -1.3572 0.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4576 0.2117 -0.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6986 2.2328 -1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 20 2 1 0 22 4 1 0 22 10 2 0 21 14 2 0 6 23 1 0 8 24 1 0 9 25 1 0 16 26 1 0 18 27 1 0 19 28 1 0 M END