HMDB0029472 RDKit 3D Isoeugenitol 25 26 0 0 0 0 0 0 0 0999 V2000 -3.4740 -1.0189 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1986 -0.2209 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2263 1.1515 -0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 1.9006 -0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1093 3.1571 -0.2171 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1389 1.2187 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3538 1.8596 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4633 3.2069 -0.1241 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5268 1.0701 0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 -0.2990 0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6737 -0.9839 0.1888 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2953 -0.9287 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1616 -2.3882 0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1233 -0.1779 0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0389 -0.7778 0.0021 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1776 -2.0552 -0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 -1.0604 0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 -0.5662 -0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1767 1.6613 -0.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8065 3.8946 -0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4522 1.6397 0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8153 -1.9571 0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3298 -2.6417 0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8239 -2.7577 -0.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0393 -2.9264 0.5079 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 4 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 2 1 0 14 6 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 8 20 1 0 9 21 1 0 11 22 1 0 13 23 1 0 13 24 1 0 13 25 1 0 M END