HMDB0142561 RDKit 3D 2-hydroxy-3-[(1R)-2-hydroxy-3-oxo-1-phenylbutyl]-4H-chromen-4-one 40 42 0 0 0 0 0 0 0 0999 V2000 -2.2361 3.5689 -0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4729 2.5226 0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4034 2.8501 0.7757 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9768 1.1375 0.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2093 1.0678 -0.1573 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0514 0.1809 -0.1476 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5621 -1.2026 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 -2.1663 0.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6767 -3.4270 0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7492 -3.7575 0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -2.7877 -0.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6566 -1.5396 -0.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3463 0.2113 0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8306 0.3163 1.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1142 0.4206 2.5451 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1206 0.3161 1.7727 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0397 0.2197 0.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3922 0.2242 1.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3576 0.1237 0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9653 0.0134 -1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6138 0.0102 -1.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6505 0.1109 -0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3031 0.1094 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9732 0.0075 -1.9748 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6092 4.4284 -0.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5518 3.1499 -1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1156 3.9239 0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2223 0.9078 1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7603 1.8641 -0.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0935 0.4069 -1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2232 -1.9713 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2524 -4.1668 1.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1698 -4.7553 0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1007 -3.0396 -1.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0838 -0.8185 -1.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1755 1.2472 3.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7190 0.3081 2.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4264 0.1261 0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7305 -0.0648 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3126 -0.0765 -2.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 6 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 12 7 1 0 23 13 1 0 22 17 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 5 29 1 0 6 30 1 6 8 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 12 35 1 0 15 36 1 0 18 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 M END