HMDB0035383 RDKit 3D Panasinsanol B 42 44 0 0 0 0 0 0 0 0999 V2000 3.1782 0.2353 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0363 -0.5724 0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5157 -1.9274 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7665 -0.5545 1.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0595 -0.1092 0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2346 0.1750 -0.6595 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4586 1.6615 -0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0716 2.2654 -0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7891 1.1712 0.1952 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1204 1.5172 1.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1115 1.2100 -0.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0129 0.0806 -0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2648 -1.1582 0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8899 -1.2278 -0.5095 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0020 -1.2299 -2.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3858 -2.4924 -0.1367 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9024 0.8132 1.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0045 -0.4587 1.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6764 0.8675 0.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6444 -1.9696 -0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2255 -2.7418 0.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1978 -2.1124 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4663 -1.5207 1.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8691 0.2319 2.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3605 -0.2302 -1.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9512 1.9239 0.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 2.0679 -1.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 3.1926 0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2464 2.4955 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4068 2.3080 1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1374 2.0020 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1137 0.6323 2.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 1.3348 -1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6121 2.1631 -0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6376 0.3764 0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7118 -0.1106 -1.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1106 -1.2921 1.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8303 -2.0509 -0.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5502 -2.1506 -2.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5018 -0.3795 -2.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0824 -1.2874 -2.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1479 -3.1486 -0.0386 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 1 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 1 6 2 1 0 9 5 1 0 14 5 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 6 25 1 6 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 10 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 15 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 M END