HMDB0037277 RDKit 3D Isoeugenol formate 26 26 0 0 0 0 0 0 0 0999 V2000 3.6727 0.9431 0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3739 -0.4800 -0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -0.9695 0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -0.2577 0.4089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8224 0.9952 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 1.5312 1.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6113 0.8280 0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8621 1.3910 0.9459 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 2.1056 -0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8758 2.2128 -1.1575 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4647 -0.4508 0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 -1.2032 -0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4772 -2.5066 -0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2076 -0.9773 0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7242 1.0762 -0.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0672 1.6330 -0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8438 1.2720 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2254 -1.1933 -0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1163 -2.0923 -0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6531 1.6031 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5698 2.5349 1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4859 2.5463 0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1427 -3.2113 0.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7782 -2.5125 -1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4695 -2.8328 -0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1493 -1.9853 -0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 7 11 1 0 11 12 1 0 12 13 1 0 11 14 2 0 14 4 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 5 20 1 0 6 21 1 0 9 22 1 0 13 23 1 0 13 24 1 0 13 25 1 0 14 26 1 0 M END