HMDB0036224 RDKit 3D Benzyl 2,3-dimethyl-2-butenoate 31 31 0 0 0 0 0 0 0 0999 V2000 -4.5241 0.2947 0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4035 -0.0182 0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7044 -0.4755 -1.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1748 0.1079 0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8977 0.5693 1.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0571 -0.1898 -0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1555 -0.5869 -1.6406 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2698 -0.0468 -0.0051 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3406 -0.3433 -0.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6504 -0.1422 -0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2483 -1.1883 0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4724 -1.0155 0.9926 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1232 0.1763 0.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5381 1.2383 0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3029 1.0639 -0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4845 -0.0313 0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3563 -0.1343 1.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5152 1.4086 1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8019 -0.6089 -1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2666 0.2156 -2.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2765 -1.4787 -1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7526 1.0954 2.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6763 -0.3013 2.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 1.2911 1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2163 -1.4303 -1.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2367 0.2030 -1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -2.1636 0.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8941 -1.8835 1.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0961 0.2516 1.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0692 2.1897 0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8903 1.9329 -0.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 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 3 19 1 0 3 20 1 0 3 21 1 0 5 22 1 0 5 23 1 0 5 24 1 0 9 25 1 0 9 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 15 31 1 0 M END