HMDB0037276 RDKit 3D Octahydro-2H-1-benzopyran-2-one 25 26 0 0 0 0 0 0 0 0999 V2000 3.7777 1.0010 -0.5472 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6638 0.5739 -0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5845 -0.8532 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2795 -1.4088 -0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1776 -0.5263 0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -1.1433 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2302 -0.2727 0.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1755 1.1314 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8292 1.7507 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 0.8060 -0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5297 1.3653 -0.0251 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4511 -1.4339 -0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5261 -0.8757 1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2039 -1.2470 -1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1297 -2.4682 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3665 -0.4415 1.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2522 -1.1348 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2327 -2.1541 0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2006 -0.7096 0.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2796 -0.3444 1.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8224 1.7481 0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6753 1.1962 -0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8381 2.5521 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5446 2.2697 1.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2433 0.6191 -1.4207 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 2 1 0 10 5 1 0 3 12 1 0 3 13 1 0 4 14 1 0 4 15 1 0 5 16 1 0 6 17 1 0 6 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 M END