HMDB0255722 RDKit 3D Norathyriol 27 29 0 0 0 0 0 0 0 0999 V2000 -0.0672 -1.8720 -1.5207 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1169 -0.9217 -0.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0912 -0.4000 -0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2995 -0.9217 -0.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4939 -0.3986 -0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7258 -0.9104 -0.6872 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4231 0.6578 0.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5910 1.2209 1.0887 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2186 1.1789 1.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0152 0.6585 0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1453 1.1333 0.9841 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3093 0.6511 0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5044 1.1959 1.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7324 0.7164 0.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9248 1.2756 1.0709 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7385 -0.3398 -0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5351 -0.8993 -0.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6456 -1.9393 -1.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3215 -0.4073 -0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 -1.7512 -1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8126 -1.6728 -1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5121 0.9044 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1569 2.0146 1.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4681 2.0331 1.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3993 2.0353 0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6986 -0.7143 -0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -2.5275 -2.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 2 1 0 10 3 1 0 19 12 1 0 4 20 1 0 6 21 1 0 8 22 1 0 9 23 1 0 13 24 1 0 15 25 1 0 16 26 1 0 18 27 1 0 M END