HMDB0032177 RDKit 3D Benzyl trans-2-methyl-2-butenoate 28 28 0 0 0 0 0 0 0 0999 V2000 -3.9190 -1.4686 -0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6035 -0.8487 -0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5959 0.3429 0.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8781 0.9907 0.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3486 1.0247 0.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 2.1533 1.3484 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1029 0.4993 0.5316 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1067 1.1628 0.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.3935 0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 -0.8268 -0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2818 -1.5409 -0.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5354 -1.0111 -0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6729 0.2174 0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5315 0.9126 0.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8227 -2.5625 -0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6876 -1.0558 0.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1791 -1.2062 -1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6729 -1.3382 -0.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5554 0.9423 -0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3653 0.5313 1.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 2.0695 1.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1761 2.1714 0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1284 1.3012 1.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1641 -1.2038 -0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1394 -2.5028 -0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3820 -1.6118 -0.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6706 0.5795 0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6428 1.8848 1.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 4 19 1 0 4 20 1 0 4 21 1 0 8 22 1 0 8 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 14 28 1 0 M END