HMDB0031553 RDKit 3D 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran 31 32 0 0 0 0 0 0 0 0999 V2000 4.5185 -0.5571 -0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6248 0.0896 0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8483 1.4673 0.3385 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1928 -0.1414 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 -1.0628 -0.8823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3952 -1.2370 -1.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5671 -0.4971 -0.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1056 0.4189 0.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2621 0.6012 0.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0601 1.2174 1.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3439 1.0326 1.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8863 0.0598 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7459 -0.9958 0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 0.7331 -0.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8997 -0.6647 -0.6052 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1535 -0.3600 -1.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5306 -0.1038 -0.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -1.6561 -0.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8962 -0.3202 1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6951 1.7063 -0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4575 -1.6439 -1.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 -1.9565 -1.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5573 1.3431 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 1.9542 1.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 1.6468 1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1497 -1.5522 1.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1241 -1.6578 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6345 -0.5078 1.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3367 1.5641 -0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3259 1.0487 -1.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6523 0.0312 -1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 9 4 1 0 15 7 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 5 21 1 0 6 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 13 26 1 0 13 27 1 0 13 28 1 0 14 29 1 0 14 30 1 0 14 31 1 0 M END