HMDB0040910 RDKit 3D Heteroflavanone A 46 48 0 0 0 0 0 0 0 0999 V2000 6.8981 0.7065 1.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5218 0.8368 1.4122 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5587 0.0865 0.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8132 -1.0331 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7962 -1.7896 -0.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0493 -2.9106 -1.3358 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 -1.3577 -0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2193 -0.2245 0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2302 0.4781 1.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8735 0.0829 0.5497 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0525 -0.0511 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4513 0.1334 -0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 -0.7033 0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2615 -1.7896 1.2596 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8318 -2.6528 2.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2851 -0.4955 1.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0695 0.5822 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3302 0.7516 1.2629 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2515 1.7341 0.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4990 1.4002 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2363 1.2072 -0.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 2.0069 -1.5914 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1927 3.1212 -2.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2597 -1.1164 -1.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3676 -2.0081 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3254 -3.2240 -1.0943 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2989 -0.1965 0.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2879 1.5834 0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3836 0.7782 2.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8224 -1.3491 -0.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3591 -3.4522 -1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0323 1.3361 1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1889 0.9383 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0779 -2.1585 3.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8126 -3.0070 1.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2326 -3.5865 2.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7587 -1.1364 1.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1582 1.3284 0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8580 2.5537 0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6263 2.2784 1.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0769 2.2407 -0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5777 2.9960 -3.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0032 3.5759 -1.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4478 3.9748 -2.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6388 -1.7356 -1.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6222 -0.7335 -2.5089 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 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 11 24 1 0 24 25 1 0 25 26 2 0 9 3 1 0 21 12 1 0 25 7 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 6 31 1 0 9 32 1 0 11 33 1 0 15 34 1 0 15 35 1 0 15 36 1 0 16 37 1 0 19 38 1 0 19 39 1 0 19 40 1 0 20 41 1 0 23 42 1 0 23 43 1 0 23 44 1 0 24 45 1 0 24 46 1 0 M END