HMDB0301781 RDKit 3D Shikimic acid 3-phosphate 27 27 0 0 0 0 0 0 0 0999 V2000 -4.0622 0.9696 0.0016 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9002 1.4119 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7014 2.7664 0.2126 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7576 0.4996 -0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5167 0.9112 -0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6748 0.0581 -0.2158 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5428 0.3933 0.8366 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9839 1.0433 0.3028 P 0 0 0 0 0 5 0 0 0 0 0 0 4.1185 0.4381 1.1293 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9753 2.7152 0.5639 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 0.7331 -1.3392 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3851 -1.4001 -0.1311 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3703 -2.0361 0.6202 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9638 -1.6801 0.5337 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1955 -3.0537 0.4877 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0006 -0.9540 -0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1988 3.3923 -0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3452 1.9806 0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1423 0.3022 -1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1066 3.0785 0.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1659 0.3426 -1.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3306 -1.8887 -1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4678 -2.9816 0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9602 -1.2957 1.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1058 -3.3216 -0.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0352 -1.2417 -0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7806 -1.1829 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 8 11 1 0 6 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 4 1 0 3 17 1 0 5 18 1 0 6 19 1 6 10 20 1 0 11 21 1 0 12 22 1 6 13 23 1 0 14 24 1 1 15 25 1 0 16 26 1 0 16 27 1 0 M END