HMDB0001954 RDKit 3D 3-Hydroxyoctanoic acid 27 26 0 0 0 0 0 0 0 0999 V2000 -3.3415 0.7146 0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5244 -0.5180 -0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3828 -0.1453 -1.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4571 0.8601 -0.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1751 0.3819 0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0093 -0.8526 0.5962 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5611 -1.2297 1.8175 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1023 -0.7274 -0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0815 0.3261 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0133 1.0605 0.9059 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1489 0.5548 -0.9658 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4116 0.4596 0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9976 1.1719 1.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2409 1.4324 -0.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2086 -1.2048 -0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1609 -1.0275 0.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8691 -1.0664 -1.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8316 0.3396 -2.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1044 1.7407 -0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2848 1.2567 -1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7112 1.2216 1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6597 0.1283 1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3574 -1.7011 0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3904 -1.7567 1.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6423 -1.7128 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6881 -0.6334 -1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0245 0.9267 -0.6315 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 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 6 7 24 1 0 8 25 1 0 8 26 1 0 11 27 1 0 M END