HMDB0304461 RDKit 3D phlorisobutyrophenone 26 26 0 0 0 0 0 0 0 0999 V2000 -2.0298 1.8252 0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1729 0.3457 -0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5346 -0.4443 1.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 -0.2550 -0.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4545 -0.7327 -2.0447 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3336 -0.3537 -0.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2216 -0.9506 -1.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8899 -1.4519 -2.6898 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5657 -1.0366 -1.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -0.5710 0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3537 -0.6591 0.5341 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1539 0.0197 1.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8262 0.1059 0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0029 0.7041 1.5897 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1817 2.1506 1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8437 2.3935 -0.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0781 2.1485 -0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1422 0.2761 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6161 0.2041 1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8155 -1.2558 1.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5261 -0.9689 1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0848 -1.5243 -3.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -1.4952 -1.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9911 0.0800 0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5077 0.3888 1.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2675 1.0569 2.4712 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 2 0 4 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 13 6 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 8 22 1 0 9 23 1 0 11 24 1 0 12 25 1 0 14 26 1 0 M END