HMDB0036165 RDKit 3D 3-(Hydroxymethyl)-2-heptanone 26 25 0 0 0 0 0 0 0 0999 V2000 3.0422 0.3476 0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4632 0.6294 -0.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1276 -0.0852 -0.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1141 0.3316 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2046 -0.3323 -0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1956 -1.8169 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3921 -2.4541 -1.0396 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2479 0.1696 0.7506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6303 1.6034 0.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -0.5876 1.5204 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1027 -0.0068 0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0856 1.3395 1.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4353 -0.3342 1.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3602 1.7017 -1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1504 0.1964 -1.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 0.1785 -1.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3908 -1.1610 -0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4639 0.1776 1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0647 1.4296 -0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6064 -0.0824 -1.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2547 -2.1719 -0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 -2.0839 0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9202 -2.8217 -1.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9221 2.2372 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6815 1.6949 0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7138 1.9009 1.8396 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 5 8 1 0 8 9 1 0 8 10 2 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 6 21 1 0 6 22 1 0 7 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 M END