HMDB0041256 RDKit 3D Heteroflavanone C 56 58 0 0 0 0 0 0 0 0999 V2000 -5.4966 2.2887 2.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8308 2.1609 1.4011 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8841 1.2098 1.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 1.2105 -0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3481 0.2865 -0.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 0.2579 -1.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1032 1.1943 -2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9664 -0.6850 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8201 -1.5101 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9394 -2.7647 -0.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3772 -2.6779 -2.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8992 -3.3253 -3.0164 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7787 -1.8159 -2.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5862 -1.9300 -3.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3129 -2.8549 -4.4399 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 -1.0630 -3.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9507 -0.1099 -2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0501 0.7292 -2.7425 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 0.0064 -1.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.9640 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4503 0.4567 0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4006 1.1623 1.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4114 0.5082 1.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4777 2.6264 0.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0718 -0.8705 -1.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2912 -0.7431 -0.2555 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5375 -0.7312 1.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2064 -1.6750 2.5503 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -1.6421 3.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4982 0.2319 1.9472 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5512 2.5156 2.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4492 1.3747 3.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0641 3.1645 3.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5811 1.9803 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5157 1.0799 -3.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1924 0.9349 -3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1381 2.2458 -2.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 -1.9180 1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3251 -3.5542 -0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9709 -3.1827 -0.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6593 -3.5468 -4.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2894 -1.1444 -4.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2488 1.4110 -2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7104 1.9829 -0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4283 1.0672 0.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4845 -0.6365 0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9314 -0.4221 2.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2470 0.2354 1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6999 1.1598 2.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9269 2.8605 -0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1421 3.0976 1.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4619 3.1038 1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6786 -0.7069 4.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9706 -1.7045 3.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -2.4944 4.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9423 0.2015 2.9551 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 6 7 1 0 5 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 2 3 22 23 1 0 22 24 1 0 19 25 2 0 25 26 1 0 8 27 1 0 27 28 1 0 28 29 1 0 27 30 2 0 30 3 1 0 26 9 1 0 25 13 1 0 1 31 1 0 1 32 1 0 1 33 1 0 4 34 1 0 7 35 1 0 7 36 1 0 7 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 15 41 1 0 16 42 1 0 18 43 1 0 20 44 1 0 20 45 1 0 21 46 1 0 23 47 1 0 23 48 1 0 23 49 1 0 24 50 1 0 24 51 1 0 24 52 1 0 29 53 1 0 29 54 1 0 29 55 1 0 30 56 1 0 M END