HMDB0039493 RDKit 3D Dihydrowyerone acid 32 32 0 0 0 0 0 0 0 0999 V2000 -4.9921 -1.7742 -0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9478 -0.8951 0.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4636 0.5192 0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4595 1.4177 1.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2344 1.5274 0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2314 1.6037 -0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0376 1.7174 -1.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0018 2.5126 -1.9755 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1507 0.9021 -0.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2182 0.0026 0.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -0.5291 0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1704 0.0529 -0.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4969 -0.0520 -1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5736 -0.3417 -0.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7216 -0.6103 0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8702 -0.5803 1.5821 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -0.9672 1.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2751 0.9072 -1.2861 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8370 -2.8387 -0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9477 -1.6828 -1.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0201 -1.5201 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0775 -0.8775 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5802 -1.3260 1.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8005 0.9687 -0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3460 0.4461 1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9118 2.4272 1.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 1.0792 2.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -0.2623 1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8173 -1.3188 0.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5779 0.1396 -2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5288 -0.3932 -1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7560 -0.2544 1.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 3 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 12 18 1 0 18 9 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 10 28 1 0 11 29 1 0 13 30 1 0 14 31 1 0 17 32 1 0 M END