HMDB0060682 RDKit 3D 2-Propyl-2,4-pentadienoic acid 22 21 0 0 0 0 0 0 0 0999 V2000 2.1778 -1.7848 1.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8795 -0.6089 0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5563 0.6648 0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2692 1.0342 0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7422 0.0030 0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4762 -0.3050 -1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4955 -1.3881 -0.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 2.3898 -0.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1114 2.8362 -0.6542 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0496 3.3312 -0.4529 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 -2.5176 1.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1091 -2.2052 1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2559 -0.3145 0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2837 1.4926 0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2517 -0.9770 0.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4616 0.1505 1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7315 -0.7686 -1.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 0.5484 -1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0799 -2.4106 -0.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9226 -1.2797 0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3596 -1.3388 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6724 3.4481 0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 4 8 1 0 8 9 2 0 8 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 3 14 1 0 5 15 1 0 5 16 1 0 6 17 1 0 6 18 1 0 7 19 1 0 7 20 1 0 7 21 1 0 10 22 1 0 M END