HMDB0037623 RDKit 3D 1-Methyl-1-phenylethyl isobutyrate 33 33 0 0 0 0 0 0 0 0999 V2000 3.2868 1.9742 1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7658 0.9460 0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6921 -0.2633 0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4212 0.4142 0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8334 0.6595 1.6727 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7858 -0.3830 -0.2928 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4037 -1.0237 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5771 -1.9877 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4212 -1.8668 -1.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5965 -0.1823 -0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8699 -0.7840 -0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 -0.0337 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9932 1.3463 -0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7644 1.9484 -0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5851 1.1828 -0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9335 1.4559 1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4894 2.5639 1.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 2.6713 0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7457 1.3875 -0.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3847 -0.8351 -0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7254 0.1134 0.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5762 -0.9260 1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3209 -2.5384 1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9954 -1.3578 1.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4111 -2.6638 0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3399 -2.4384 -1.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -2.5272 -1.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2317 -1.1270 -2.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9074 -1.8618 -0.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9635 -0.5300 -0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9301 1.9134 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7304 3.0373 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6573 1.7158 -0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 9 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 M END