HMDB0250924 RDKit 3D Decursinol 32 34 0 0 0 0 0 0 0 0999 V2000 -3.2922 1.2546 -1.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3252 0.5553 -0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 0.6751 1.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1298 1.2563 0.0159 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1353 0.7025 0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2158 1.3930 0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4791 0.7933 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4827 1.4748 1.1691 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6713 0.9268 1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6349 1.6003 1.7171 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8919 -0.3424 0.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8567 -1.0650 0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6058 -0.4763 0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5092 -1.1494 -0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2675 -0.5672 -0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8607 -1.2882 -1.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2053 -0.8624 -0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1390 -1.1884 -1.5013 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2788 2.3406 -0.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9848 0.9180 -2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2904 0.8047 -0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1272 0.7220 1.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6485 1.5726 1.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7254 -0.2030 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 2.3920 1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8761 -0.7797 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9651 -2.0640 -0.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6776 -2.1515 -0.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -1.1981 -2.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7366 -2.3722 -0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4872 -1.5055 0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3050 -2.1687 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 17 2 1 0 15 5 1 0 13 7 2 0 1 19 1 0 1 20 1 0 1 21 1 0 3 22 1 0 3 23 1 0 3 24 1 0 6 25 1 0 11 26 1 0 12 27 1 0 14 28 1 0 16 29 1 0 16 30 1 0 17 31 1 0 18 32 1 0 M END