HMDB0034615 RDKit 3D Epoxyanethole 24 25 0 0 0 0 0 0 0 0999 V2000 4.3005 0.6020 0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2841 1.1031 -0.1856 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0198 0.5378 -0.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7631 -0.5233 0.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -1.0775 0.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4748 -0.5730 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8578 -1.1038 -0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5528 -1.3945 0.9382 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8714 -0.1607 0.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 0.0723 -0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1889 0.5001 -0.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 1.0719 -1.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 0.4608 1.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7099 -0.3294 0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 1.3896 0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5119 -0.9496 1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2806 -1.8954 1.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1479 -1.6603 -1.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5219 0.7036 1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7187 0.4244 -1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6165 -0.8773 -0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7430 0.8629 0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9585 0.9050 -1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 1.9114 -1.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 6 11 1 0 11 12 2 0 12 3 1 0 9 7 1 0 1 13 1 0 1 14 1 0 1 15 1 0 4 16 1 0 5 17 1 0 7 18 1 0 9 19 1 0 10 20 1 0 10 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 M END