HMDB0040836 RDKit 3D Heteroflavanone B 59 61 0 0 0 0 0 0 0 0999 V2000 6.0347 2.6847 1.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 2.9288 0.6669 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 1.9261 0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4376 2.1070 -0.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 1.1262 -1.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7232 1.3717 -2.2397 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7941 2.5914 -2.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4713 -0.0845 -0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -1.0882 -0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -2.4056 -0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5303 -3.2739 -0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7602 -4.3482 -1.4331 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 -2.7340 -0.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -3.5342 -0.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8402 -4.8822 -1.0939 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2078 -2.9060 -0.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3304 -1.5433 -0.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6127 -0.9585 -0.8835 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7790 -1.7202 -0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 -0.7886 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2789 0.7018 -0.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6766 1.0980 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7026 1.8606 0.9465 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5664 2.4072 -0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0304 2.2031 2.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9108 -1.3377 -0.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -0.5377 -0.6883 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3075 -0.2857 0.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2953 -1.4547 1.3709 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 -1.5679 2.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1934 0.7338 0.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6203 1.7373 1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7446 3.5353 1.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4524 2.5132 2.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5213 3.0521 -1.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9978 2.6969 -3.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 3.4766 -2.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7861 2.6877 -3.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 -1.2552 -2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2247 -2.3154 0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5364 -2.9144 -0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0409 -5.4335 -1.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0572 -3.5768 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0722 -2.1928 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7663 -2.4773 -1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6108 -1.0150 -1.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3181 1.1695 -0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0361 1.0168 -1.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0538 0.7106 1.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2414 1.6443 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1491 3.2780 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8811 2.7983 -0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4139 3.0576 2.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1198 2.3647 2.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7258 1.3400 3.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0459 -0.7307 3.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0214 -2.5606 2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2368 -1.4784 2.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8599 0.5818 1.8172 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 18 19 1 0 17 20 1 0 20 21 1 0 21 22 1 0 22 23 2 3 23 24 1 0 23 25 1 0 20 26 2 0 26 27 1 0 8 28 1 0 28 29 1 0 29 30 1 0 28 31 2 0 31 3 1 0 27 9 1 0 26 13 1 0 1 32 1 0 1 33 1 0 1 34 1 0 4 35 1 0 7 36 1 0 7 37 1 0 7 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 15 42 1 0 16 43 1 0 19 44 1 0 19 45 1 0 19 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 24 50 1 0 24 51 1 0 24 52 1 0 25 53 1 0 25 54 1 0 25 55 1 0 30 56 1 0 30 57 1 0 30 58 1 0 31 59 1 0 M END