HMDB0032235 RDKit 3D 2,6-Dimethyl-5-heptenal propyleneglycol acetal 36 36 0 0 0 0 0 0 0 0999 V2000 -4.1310 1.4885 0.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5992 0.3735 -0.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5075 -0.5501 -1.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3031 0.2070 -0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3014 1.0853 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4307 0.3025 1.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3289 -0.7907 0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -1.5208 1.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -0.2407 -0.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9413 -1.3216 -1.2337 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 -1.1665 -1.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4731 0.0276 -0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 0.9364 -0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2319 0.5906 -0.1062 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2483 1.4842 0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8405 2.4365 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7111 1.5067 1.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0712 -1.5530 -1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6806 -0.1245 -2.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4894 -0.6638 -0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9025 -0.6048 -1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7715 1.9456 0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 1.5126 -0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2892 0.9972 1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0345 -0.1454 1.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 -1.5007 -0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9612 -2.0799 0.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 -0.8269 2.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5358 -2.2639 1.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7884 0.3059 -1.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7901 -2.0716 -0.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7405 -1.0048 -2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8127 -0.3015 0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8781 0.5454 -1.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0491 1.9548 -0.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3782 1.0309 -0.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 13 36 1 0 M END