HMDB0031207 RDKit 3D Methyl pentanoate 20 19 0 0 0 0 0 0 0 0999 V2000 -3.0081 0.2066 0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6845 -0.4653 0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9746 0.3792 -0.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3539 -0.1620 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3055 -0.3096 -0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1033 -0.9437 0.8253 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5854 0.2889 -0.3079 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5184 0.1559 0.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8736 1.3151 0.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8206 -0.0607 -0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2663 0.0691 1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9358 -1.4270 -0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1337 -0.7324 1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6529 0.4123 -1.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8227 1.4304 -0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7834 0.5778 -2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2445 -1.1031 -1.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4303 1.0119 1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5209 0.1026 0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 -0.7458 1.3759 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 2 0 5 7 1 0 7 8 1 0 1 9 1 0 1 10 1 0 1 11 1 0 2 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 8 18 1 0 8 19 1 0 8 20 1 0 M END