HMDB0032315 RDKit 3D Hexanal butane-2,3-diol acetal 32 32 0 0 0 0 0 0 0 0999 V2000 3.9308 -1.3813 0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0026 -0.0008 0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9024 0.2775 -0.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5282 0.1370 -0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5068 0.4240 -1.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9079 0.3321 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2869 -0.8932 -0.2936 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4696 -0.6308 0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6825 -1.1294 -0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5537 0.8826 0.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0782 1.3934 1.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2155 1.2225 0.2553 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2648 -1.4635 1.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9761 -1.6499 1.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6727 -2.1120 -0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9835 0.7198 1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9619 0.1205 -0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0294 -0.4122 -1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0617 1.3051 -1.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4533 -0.8510 0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5048 0.9044 0.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6856 1.4307 -1.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6364 -0.2899 -2.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5773 0.5932 -1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4481 -1.0856 1.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8697 -2.2061 -0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6385 -0.8702 -1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5659 -0.5959 0.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1246 1.2430 -0.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2656 2.4747 1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3496 1.1949 2.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0673 0.9163 1.9462 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 11 1 0 10 12 1 0 12 6 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 11 32 1 0 M END