HMDB0250498 RDKit 3D Coumestan 26 29 0 0 0 0 0 0 0 0999 V2000 0.3612 -3.0634 0.0784 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2755 -1.9778 0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5951 -1.9687 -0.0474 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2818 -0.8465 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6613 -0.8536 -0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4157 0.2994 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7175 1.5014 -0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3387 1.5303 -0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6023 0.3599 -0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2252 0.3790 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 1.3554 0.0336 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8616 0.8806 0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1104 1.4480 0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2786 0.7066 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1614 -0.6663 0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 -1.2706 0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7886 -0.4973 0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -0.8107 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1929 -1.7912 -0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5008 0.2801 -0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 2.4541 -0.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8286 2.4845 -0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1854 2.5235 0.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2599 1.1731 0.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0501 -1.2783 0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8349 -2.3514 0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 2 1 0 9 4 1 0 18 10 2 0 17 12 1 0 5 19 1 0 6 20 1 0 7 21 1 0 8 22 1 0 13 23 1 0 14 24 1 0 15 25 1 0 16 26 1 0 M END