HMDB0032551 RDKit 3D Valeraldehyde propyleneglycol acetal 26 26 0 0 0 0 0 0 0 0999 V2000 3.3112 -0.9548 -0.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1035 0.4364 0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6004 0.6619 0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9186 0.5011 -0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5466 0.7235 -0.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3012 0.6097 -1.8178 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5413 0.0761 -1.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4543 0.0387 0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3048 -1.0136 0.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0777 -0.1862 0.2514 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4146 -1.5990 -0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0871 -1.4335 0.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6649 -0.9446 -1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4551 1.1796 -0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6577 0.6556 1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4683 1.6852 0.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 -0.0747 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -0.5060 -1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3114 1.3063 -1.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 1.7334 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6058 -0.9245 -1.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3759 0.7497 -1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 1.0604 0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9106 -0.5245 1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7265 -1.8325 1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0527 -1.4233 -0.0171 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 8 10 1 0 10 5 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 M END