HMDB0040169 RDKit 3D xi-5-Hydroxydodecanoic acid 39 38 0 0 0 0 0 0 0 0999 V2000 5.2944 1.0513 0.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2228 -0.3299 -0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8073 -0.8770 0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8550 0.0133 -0.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 -0.4824 -0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -0.5644 0.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4485 -1.0500 0.9178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5152 -0.2429 0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4178 -0.1065 -1.0997 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 -0.9176 0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 -0.1943 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1361 1.2331 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3111 1.8171 -0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2159 2.2012 -1.4145 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5059 1.9378 0.4604 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3187 1.1855 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5804 1.1492 1.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1353 1.8404 -0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5897 -0.3076 -1.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 -0.9887 0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7629 -1.8801 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5948 -0.9830 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1523 0.0074 -1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 1.0621 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3243 -1.4341 -1.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8459 0.2869 -1.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1175 0.4158 1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6001 -1.3001 1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7023 -1.0664 2.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4679 -2.1236 0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4697 0.7812 0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7554 -0.9364 -1.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9209 -1.0644 1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8067 -1.9270 0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9213 -0.2823 -1.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9246 -0.7256 0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2477 1.8447 0.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3135 1.2212 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4087 1.7361 0.0096 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 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 12 37 1 0 12 38 1 0 15 39 1 0 M END