HMDB0000511 RDKit 3D Capric acid 32 31 0 0 0 0 0 0 0 0999 V2000 -4.0296 0.8224 -1.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8987 -0.5392 -0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0126 -0.4244 0.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6271 0.0592 0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9373 -0.8648 -0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 -0.4086 -0.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3522 -0.3005 0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7134 0.1662 -0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7057 0.3152 1.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9919 0.7681 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0188 0.9809 1.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 0.9760 -0.8918 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7428 1.5770 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 0.8839 -1.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0684 0.9629 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4674 -1.2217 -1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9130 -0.9001 -0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -1.4769 1.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4797 0.1407 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 1.0525 0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0396 0.1341 1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8998 -1.9086 -0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4977 -0.8616 -1.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4388 0.5936 -1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8962 -1.1920 -1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5298 -1.2880 0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9885 0.3906 1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 1.1360 -0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0296 -0.5968 -0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8238 -0.6196 1.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 1.1166 1.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5898 0.5269 -1.6139 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 9 10 1 0 10 11 2 0 10 12 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 6 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 12 32 1 0 M END