HMDB0040163 RDKit 3D Hexyl 2-methyl-4-pentenoate 36 35 0 0 0 0 0 0 0 0999 V2000 5.7511 -0.8423 -1.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8976 0.0439 -1.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5299 -0.3966 -0.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3446 -0.1063 0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4996 1.3597 0.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0171 -0.5385 1.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9186 -1.3896 2.0581 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8749 -0.0036 0.5937 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4391 -0.3545 0.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3873 0.4509 0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8399 0.1688 0.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6753 1.0320 -0.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1572 0.8426 -0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6144 -0.5605 -0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7623 -0.5430 -1.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4579 -1.8933 -1.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2280 1.0757 -1.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7519 0.1936 -1.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4322 -1.4617 -1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1483 -0.6707 1.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4715 1.7773 0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 1.9182 0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2624 1.5072 2.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5605 -1.4358 0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6105 -0.2173 2.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1619 0.2235 -0.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1956 1.5330 0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0363 0.5001 1.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 -0.8927 0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4143 0.9129 -1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4563 2.0977 -0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6719 1.5088 -0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4534 1.1796 0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8252 -1.1749 -0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4872 -0.5838 -1.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9786 -1.0601 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 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 1 0 11 12 1 0 12 13 1 0 13 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 5 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 M END