HMDB0032448 RDKit 3D Octanal propyleneglycol acetal 35 35 0 0 0 0 0 0 0 0999 V2000 -3.9103 1.9936 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6297 1.1598 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0652 -0.2664 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9416 -1.2531 -0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0126 -1.1823 0.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1294 -2.1626 0.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9242 -1.8743 -0.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4707 -0.4932 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2351 -0.1771 -1.5863 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6392 1.1197 -1.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9117 0.9661 0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 0.8752 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4026 -0.2943 0.5588 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0630 2.3372 1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 2.8824 -0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8032 1.4157 -0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1041 1.5130 -0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9985 1.3926 0.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6949 -0.3553 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6497 -0.5331 0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3661 -1.0940 -1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3663 -2.2672 -0.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6822 -0.1407 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5706 -1.4765 1.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8326 -1.9655 1.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2425 -3.2069 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 -2.0885 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7931 -2.5734 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7235 0.3162 -0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5346 1.4349 -1.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7642 1.7857 -1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4569 1.7729 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8894 1.8655 0.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6449 0.3227 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7966 0.2514 -0.4201 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 11 13 1 0 13 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 12 35 1 0 M END