HMDB0033994 RDKit 3D Isoformononetin 32 34 0 0 0 0 0 0 0 0999 V2000 6.2438 -0.5184 0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1152 -1.3646 0.2567 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8121 -0.8533 0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5914 0.4845 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3077 1.0096 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2377 0.1369 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0785 0.6089 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2929 1.8180 -0.2435 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1289 -0.2795 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5237 0.1271 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9742 1.0260 -1.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3060 1.3866 -1.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2420 0.8807 -0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5856 1.2472 -0.2639 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7912 -0.0187 0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4622 -0.3785 0.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 -1.6114 0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4427 -2.0190 0.2163 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4592 -1.2101 0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7493 -1.7267 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4234 0.0127 1.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1181 -1.1822 -0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1698 0.2284 -0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4409 1.1553 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1481 2.0701 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 1.4140 -1.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6469 2.1008 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8433 2.0608 0.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5335 -0.4182 1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 -1.0941 1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6406 -2.3119 0.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9491 -2.7811 0.3660 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 2 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 9 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 3 1 0 19 6 1 0 16 10 1 0 1 21 1 0 1 22 1 0 1 23 1 0 4 24 1 0 5 25 1 0 11 26 1 0 12 27 1 0 14 28 1 0 15 29 1 0 16 30 1 0 17 31 1 0 20 32 1 0 M END