HMDB0002264 RDKit 3D (R)-2-Hydroxycaprylic acid 27 26 0 0 0 0 0 0 0 0999 V2000 3.8316 0.2954 0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4889 -0.2092 0.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0924 0.7905 -0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7788 0.3977 -1.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 0.3401 -0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6318 -0.0513 -0.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8263 -0.1358 -0.0996 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9275 -0.5102 -0.9079 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7298 -1.0409 1.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8361 -0.9013 1.9074 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6168 -2.0950 1.2089 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4018 0.6920 0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4115 -0.5345 1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5831 1.0785 1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7714 -0.2464 1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6791 -1.1909 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8924 0.8710 -1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9405 1.8088 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9388 -0.5694 -1.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5294 1.1298 -2.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4078 1.2881 0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -0.4596 0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4296 -1.0396 -1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8016 0.6568 -1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0914 0.8750 0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5953 -0.9537 -0.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0177 -2.2523 2.1272 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 7 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 0 6 24 1 0 7 25 1 1 8 26 1 0 11 27 1 0 M END