HMDB0011679 RDKit 3D DHAP(6:0) 34 33 0 0 0 0 0 0 0 0999 V2000 4.6356 -1.3698 -1.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6448 -0.6460 -0.8136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4908 -0.0874 -1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 0.6119 -0.6429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9923 -0.2924 0.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0864 0.4980 1.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0721 1.7143 1.0291 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -0.0569 2.3704 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4374 0.7190 3.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6303 1.2666 2.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2825 2.0795 3.1765 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1629 0.9874 1.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4933 0.0147 0.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1563 -0.2497 -1.0627 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.9796 -1.7129 -1.4234 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7906 0.1319 -1.1408 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3505 0.6384 -2.2735 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6064 -1.4064 -1.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6957 -0.7966 -2.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2991 -2.4107 -1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1632 0.1664 -0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2481 -1.4323 -0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9095 -0.9089 -2.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7987 0.6247 -2.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1231 1.4445 -0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6776 1.0611 -1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4663 -1.1590 -0.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8098 -0.6634 1.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9055 1.5935 3.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7447 0.0781 4.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2327 0.6363 1.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2214 1.9330 0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3047 -0.2924 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8459 0.5339 -3.1080 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 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 14 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 9 29 1 0 9 30 1 0 12 31 1 0 12 32 1 0 16 33 1 0 17 34 1 0 M END