HMDB0035182 RDKit 3D Licoriphenone 51 52 0 0 0 0 0 0 0 0999 V2000 -3.7125 2.3012 -2.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3972 1.1292 -1.5238 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0938 0.6840 -1.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0703 1.4296 -1.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2394 1.0018 -1.8801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2779 1.7298 -2.4546 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5129 -0.1740 -1.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9052 -0.6151 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 0.2110 -0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0545 1.1400 0.5538 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 -0.0143 0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6957 -1.0228 -0.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0251 -1.2827 -0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7117 -0.5287 0.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0505 -0.8134 0.9604 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0745 0.4832 1.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7277 0.7264 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0539 1.7302 1.8073 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -0.9218 -0.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1703 -2.0638 0.0654 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1374 -2.1478 1.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7987 -0.4725 -0.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9271 -1.2371 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4387 -0.6253 1.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6742 -0.2440 1.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0528 0.3634 2.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7144 -0.4342 0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0904 3.1470 -1.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4432 2.2311 -3.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7819 2.5157 -2.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3212 2.3476 -2.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1151 2.5707 -2.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0026 -1.7010 -0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4318 -0.4333 -2.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1459 -1.6213 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5353 -2.0735 -0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5612 -0.2660 1.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6226 1.0702 2.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5555 2.2832 2.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4726 -3.1917 1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -1.9726 2.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -1.4106 1.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7591 -1.2379 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6553 -2.3058 0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 -0.4738 1.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2192 0.1786 3.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9975 -0.0616 3.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1169 1.4699 2.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6419 -1.4181 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7733 0.4105 -0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7143 -0.3894 0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 2 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 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 7 19 1 0 19 20 1 0 20 21 1 0 19 22 2 0 22 23 1 0 23 24 1 0 24 25 2 3 25 26 1 0 25 27 1 0 22 3 1 0 17 11 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 6 32 1 0 8 33 1 0 8 34 1 0 12 35 1 0 13 36 1 0 15 37 1 0 16 38 1 0 18 39 1 0 21 40 1 0 21 41 1 0 21 42 1 0 23 43 1 0 23 44 1 0 24 45 1 0 26 46 1 0 26 47 1 0 26 48 1 0 27 49 1 0 27 50 1 0 27 51 1 0 M END