HMDB0000826 RDKit 3D Pentadecanoic acid 47 46 0 0 0 0 0 0 0 0999 V2000 6.2707 0.8262 -0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9039 -0.3497 -1.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8844 -1.2802 -0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5106 -0.8133 -0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3746 0.3024 0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9045 0.6877 0.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2285 1.1378 -0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1929 1.5293 -0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0479 0.3927 0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 0.9448 0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3979 -0.0822 1.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5308 -1.2908 0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0414 -0.9482 -1.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3864 -0.2961 -1.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4822 -1.0846 -0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2727 -2.2192 -0.0782 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7529 -0.5637 -0.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9885 0.7346 0.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8662 1.7654 -0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4177 0.9568 -0.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8565 -0.9162 -1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5716 -0.0272 -2.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8347 -2.1680 -1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2339 -1.7537 0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9255 -1.6819 0.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0332 -0.5895 -1.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8351 0.0675 1.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8213 1.2534 0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3495 -0.1896 1.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 1.5174 1.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7479 2.0590 -0.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3182 0.3912 -1.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6733 1.9241 -1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2004 2.3586 0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6395 0.0751 1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0272 -0.4708 -0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4241 1.8218 1.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8284 1.2965 -0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 0.4201 1.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 -0.3467 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5166 -1.7271 0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1170 -2.1014 0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0485 -1.8580 -1.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3188 -0.2614 -1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3886 0.6925 -0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5836 -0.0066 -2.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0485 -0.1287 0.3724 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 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 17 47 1 0 M END