HMDB0036210 RDKit 3D Dodecyl 2-methylpropanoate 50 49 0 0 0 0 0 0 0 0999 V2000 7.6145 -1.2339 1.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1567 -0.9345 1.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1740 -0.4266 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7993 -0.1132 -0.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1666 0.9491 0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7774 1.3117 -0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8525 0.1407 -0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4632 0.4564 -0.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2184 1.4947 -0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5976 1.8314 -0.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5397 0.6213 -0.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8539 1.1174 -1.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9006 0.2365 -1.1319 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3707 -0.4373 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7811 -0.1908 1.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4968 -1.3978 -0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7519 -0.7411 -0.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6349 -2.1164 1.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2617 -0.4351 1.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9272 -2.1882 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7282 -1.3121 2.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8024 -0.1598 1.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5736 -1.8480 1.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7686 0.5338 -0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6172 -1.1665 -1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8090 0.2056 -1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1959 -1.0615 -0.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7696 1.8761 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1257 0.5626 1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3407 2.1425 0.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 1.6770 -1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8185 -0.3195 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2388 -0.6641 -1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1008 -0.5190 -0.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5156 0.7122 -2.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2145 1.1609 0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3712 2.4516 -0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 2.1360 -1.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9876 2.6481 0.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0655 -0.1189 -1.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5821 0.2708 0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 1.9606 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7123 1.6096 -2.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2175 -2.1674 -0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3345 -1.4361 -1.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3495 -0.2766 0.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4349 0.1174 -1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5367 -2.7474 1.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6398 -1.4330 2.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7608 -2.7789 1.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 16 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 17 47 1 0 18 48 1 0 18 49 1 0 18 50 1 0 M END