HMDB0248166 RDKit 3D Allyl formate 12 11 0 0 0 0 0 0 0 0999 V2000 -2.1366 -0.5416 -0.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -0.2292 0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0493 0.4415 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1485 -0.3986 0.1838 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4243 -0.0093 -0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5452 1.0878 -0.7853 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0237 -1.0299 -0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9989 -0.2996 -1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2707 -0.4556 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 1.4300 0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0369 0.6304 -1.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3064 -0.6258 0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 1 7 1 0 1 8 1 0 2 9 1 0 3 10 1 0 3 11 1 0 5 12 1 0 M END