HMDB0031085 RDKit 3D 6-Pentyl-2H-pyran-2-one 26 26 0 0 0 0 0 0 0 0999 V2000 3.0150 -0.4833 -0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7202 0.9022 -0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1304 0.8872 1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8211 0.1267 1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1636 0.7621 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4794 0.1559 0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8061 -0.9493 0.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0557 -1.5363 0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9765 -0.9485 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6069 0.1670 -0.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4781 0.6699 -1.4083 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3916 0.6728 -0.5557 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -1.1211 -0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8282 -0.9262 -0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4258 -0.3404 -1.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7267 1.4038 -0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 1.5282 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8913 0.4306 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9867 1.9243 1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9702 -0.9242 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5291 0.0898 2.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2882 1.8540 0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2649 0.7693 -0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0655 -1.3615 1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2937 -2.4063 1.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9848 -1.3470 -0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 6 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 7 24 1 0 8 25 1 0 9 26 1 0 M END