HMDB0012199 RDKit 3D Chorismate 26 26 0 0 0 0 0 0 0 0999 V2000 1.6877 2.2449 0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1286 1.0515 0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3194 -0.0292 0.5714 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -0.4861 -0.4144 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6080 0.5057 -0.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9038 0.2904 -0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8622 1.3518 -1.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4689 2.4828 -1.4079 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2272 1.1328 -0.9464 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4357 -0.9914 -0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -1.9286 0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1493 -1.7818 0.0450 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4150 -2.8560 -0.7168 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4713 0.8736 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2778 1.8524 -0.2455 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9726 -0.3706 -0.4433 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6942 2.4291 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3556 3.0880 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -0.6918 -1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2921 1.4899 -1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 0.5780 -0.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5163 -1.1697 -0.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0311 -2.9031 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2615 -1.9719 1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3464 -2.9503 -0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4705 -1.2405 -0.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 6 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 2 14 1 0 14 15 2 0 14 16 1 0 12 4 1 0 1 17 1 0 1 18 1 0 4 19 1 6 5 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 12 24 1 1 13 25 1 0 16 26 1 0 M END