HMDB0000910 RDKit 3D Tridecanoic acid 41 40 0 0 0 0 0 0 0 0999 V2000 -4.2193 -1.9412 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8800 -0.6337 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7996 0.4455 0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1666 0.5111 -0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0961 1.5608 -0.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9994 1.3081 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3389 0.0007 -0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7851 -0.3361 0.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 0.7073 0.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0232 0.4750 1.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7303 -0.8199 1.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2731 -0.9492 -0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2601 0.0711 -0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6567 0.9993 0.2506 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 0.0255 -1.7729 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3044 -2.1023 -1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7783 -2.7895 0.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1539 -1.9670 0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5692 -0.3364 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4294 -0.7311 1.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2124 1.4050 0.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0093 0.1096 1.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8013 -0.4959 -1.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 0.7309 -1.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6843 1.5341 -2.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5344 2.5925 -0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4404 1.3156 1.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2637 2.1629 -0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1079 -0.8016 -0.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0897 0.0390 -1.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2007 -1.3164 0.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3696 -0.4404 1.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1212 0.8214 -0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3866 1.6886 0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6595 0.4381 2.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 1.3524 1.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6122 -0.8860 1.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 -1.6893 1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 -1.0094 -0.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 -1.9396 -0.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8586 0.8906 -2.3251 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 2 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 15 41 1 0 M END