HMDB0036314 RDKit 3D Dehydrochorismic acid 24 24 0 0 0 0 0 0 0 0999 V2000 -1.6684 -0.0369 -2.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0314 -0.3939 -1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2686 -1.3412 -0.3836 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0032 -0.9775 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4918 0.2942 -0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 0.6707 0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 2.0409 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3778 2.3585 0.4706 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4148 2.9389 -0.6141 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5395 -0.2334 0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0813 -1.5139 1.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8148 -1.8695 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4038 -3.1625 0.9886 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2056 0.1796 -0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9029 1.0383 -1.0027 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6053 -0.1858 0.8646 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 0.6988 -2.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8005 -0.4518 -2.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1088 1.0278 -0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7647 3.8858 -0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5264 0.1052 1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7338 -2.1935 1.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5078 -3.4506 0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7736 0.5717 1.5305 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 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 6 10 2 0 10 11 1 0 11 12 2 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 5 19 1 0 9 20 1 0 10 21 1 0 11 22 1 0 13 23 1 0 16 24 1 0 M END