HMDB0029359 RDKit 3D (R)-1,3-Octanediol 28 27 0 0 0 0 0 0 0 0999 V2000 -3.2529 0.5796 -0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0554 -0.8824 -0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9128 -1.4009 0.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5332 -1.1160 -0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2202 0.3289 -0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2207 0.6009 -0.5535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3634 2.0079 -0.5803 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 0.1354 0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5977 0.3885 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3659 -0.0696 1.2496 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7547 1.2164 0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3638 0.8547 -0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0766 0.9620 -1.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0431 -1.3103 0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9585 -1.2961 -1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0348 -2.5110 0.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0238 -0.9597 1.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4036 -1.6209 -1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1719 -1.6751 0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4615 0.8158 0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 0.7716 -0.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4642 0.2214 -1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 2.3270 -1.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -0.9375 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9609 0.6872 1.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8559 -0.2518 -0.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 1.4577 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8214 0.6762 1.7190 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 1 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 5 21 1 0 6 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 M END