HMDB0256020 RDKit 3D Oxypeucedanin hydrate 38 40 0 0 0 0 0 0 0 0999 V2000 3.6955 1.1818 0.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3647 -0.1819 0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4943 -0.6527 -0.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1946 -1.1194 1.3307 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1236 -0.1349 -0.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2226 0.7914 -1.5478 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8738 0.1319 0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2022 0.0150 -0.5745 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 0.1693 -0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 1.4077 -0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6574 2.6588 -0.7594 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7268 3.5258 -0.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7912 2.8489 -0.2855 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4724 1.5888 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2265 0.4872 0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 -0.7582 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3558 -1.7922 0.7882 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8638 -3.0031 0.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 -3.9919 1.2857 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5422 -3.2559 0.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7658 -2.1848 0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2742 -0.9104 0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 1.4593 0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0470 1.9870 0.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1858 1.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 0.0321 -1.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2074 -1.6560 -1.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4205 -0.8063 -0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2489 -0.7270 2.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9897 -1.1801 -0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5127 0.6447 -2.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8479 -0.5438 1.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9349 1.1850 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6338 2.9227 -1.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6534 4.5784 -0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2776 0.6683 0.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0772 -4.2290 0.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7044 -2.3423 0.0225 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 2 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 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 18 19 2 0 18 20 1 0 20 21 2 0 21 22 1 0 22 9 1 0 14 10 1 0 22 16 2 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 11 34 1 0 12 35 1 0 15 36 1 0 20 37 1 0 21 38 1 0 M END