HMDB0030816 RDKit 3D 6-Acetyl-2,2-dimethyl-2H-1-benzopyran 29 30 0 0 0 0 0 0 0 0999 V2000 4.8560 -0.6873 0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8260 -0.2523 -0.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2173 0.0772 -1.7972 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4335 -0.2172 -0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0724 -0.5898 1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7723 -0.5763 1.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2432 -0.1716 0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1175 0.2000 -0.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4429 0.1812 -1.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9164 0.6311 -1.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 0.6463 -1.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 0.2570 0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2743 1.4311 0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6636 -0.8089 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5567 -0.1444 0.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4736 -1.6200 0.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0198 0.0504 1.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8320 -0.8515 -0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8216 -0.9181 1.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5048 -0.8692 2.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6651 0.4898 -2.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6644 0.9341 -2.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9272 0.9733 -1.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8374 0.9576 1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4725 2.0314 1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9244 1.9956 0.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2576 -1.6727 -0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5001 -0.3515 -0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0582 -1.1252 0.9646 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 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 5 19 1 0 6 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 13 24 1 0 13 25 1 0 13 26 1 0 14 27 1 0 14 28 1 0 14 29 1 0 M END