HMDB0034237 RDKit 3D Propyl acetate 17 16 0 0 0 0 0 0 0 0999 V2000 -2.7388 -0.0336 -0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2953 -0.3038 0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4743 0.9210 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8846 0.7581 0.1176 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7139 -0.2086 -0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1514 -0.3343 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2149 -1.0109 -1.2479 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1274 -0.7789 -0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3835 -0.1243 0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8602 0.9964 -0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9682 -1.1890 -0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1874 -0.5862 1.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8587 1.7700 0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6576 1.1576 -1.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3044 -0.9213 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 -0.7888 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6143 0.6768 0.1119 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 5 7 2 0 1 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 3 13 1 0 3 14 1 0 6 15 1 0 6 16 1 0 6 17 1 0 M END