HMDB0036103 RDKit 3D Geranic acid 28 27 0 0 0 0 0 0 0 0999 V2000 -2.5821 0.1765 -1.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8035 -0.0997 -0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1719 0.0398 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8128 -0.4672 0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4048 -0.6245 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 0.3359 0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8688 0.2916 0.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8166 1.1996 1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2938 -0.5115 -0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6841 -0.5750 -0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5716 0.1439 -0.3206 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0998 -1.4450 -1.8375 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4328 0.7641 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3987 -0.7369 -2.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 0.8404 -1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5179 1.1046 0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 -0.5807 -0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2083 -0.2477 1.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0113 -0.6591 1.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3599 -0.4996 -0.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0747 -1.6612 0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0872 1.3708 0.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3742 0.0300 1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5526 0.5430 1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3036 1.8211 1.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3082 1.9174 0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5793 -1.1627 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3880 -2.3848 -1.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 3 9 10 1 0 10 11 2 0 10 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 3 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 8 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 12 28 1 0 M END