HMDB0031241 RDKit 3D Isopropyl acetate 17 16 0 0 0 0 0 0 0 0999 V2000 2.8421 -0.1205 -0.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6037 0.1025 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6912 0.5208 1.1086 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3366 -0.1171 -0.5947 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7919 0.1305 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7273 1.1353 -0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6251 -1.1543 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3796 -1.0543 -0.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6411 -0.1954 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 0.7060 -0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4624 0.4822 1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7007 1.0371 0.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3345 2.1530 -0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9172 0.7456 -1.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5251 -1.6595 -0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2684 -1.7957 1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6957 -0.9162 0.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 1 8 1 0 1 9 1 0 1 10 1 0 5 11 1 0 6 12 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 0 7 17 1 0 M END