HMDB0303791 RDKit 3D Chrysoeriol 7-glucuronide 54 57 0 0 0 0 0 0 0 0999 V2000 8.4240 1.0910 0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3213 -0.2012 -0.1385 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0669 -0.7265 -0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8899 -0.0451 -0.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6606 -0.6090 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4021 0.0628 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3397 1.3272 0.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1309 1.9465 0.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0687 3.1080 1.3263 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9529 1.2878 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2773 1.8618 0.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3586 3.1159 1.3438 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4269 1.1172 0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3537 -0.1426 -0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4776 -0.8698 -0.3647 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7914 -0.5200 -0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5326 -0.5141 -1.3922 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6529 0.2803 -1.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3338 0.6825 -2.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9517 0.3489 -3.5368 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4668 1.4778 -2.2938 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6017 -0.3153 -0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4698 0.7246 0.2427 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8335 -0.7166 1.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4497 0.4497 1.7629 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5588 -1.4533 0.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8110 -1.6242 1.8859 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0819 -0.6500 -0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0789 0.0284 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2426 -0.5162 -0.2394 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6196 -1.8704 -0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7578 -2.5796 -1.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9760 -1.9959 -0.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1427 -2.6813 -1.2082 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4725 1.4385 0.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8191 1.7805 -0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9594 1.0267 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9972 0.9498 0.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2541 1.8621 0.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2756 3.5140 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3616 1.6004 0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9138 0.4869 0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2526 1.2247 -0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6038 2.3147 -2.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1970 -1.1490 -0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0229 1.2706 0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4684 -1.2876 1.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9847 0.2453 2.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7639 -2.4243 0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 -2.5666 2.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0164 -1.6487 -0.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6532 -2.3556 -1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6466 -3.5675 -1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0948 -3.5940 -1.6020 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 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 18 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 14 28 1 0 28 29 2 0 29 30 1 0 5 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 33 3 1 0 30 6 1 0 29 10 1 0 26 16 1 0 1 35 1 0 1 36 1 0 1 37 1 0 4 38 1 0 7 39 1 0 12 40 1 0 13 41 1 0 16 42 1 0 18 43 1 0 21 44 1 0 22 45 1 0 23 46 1 0 24 47 1 0 25 48 1 0 26 49 1 0 27 50 1 0 28 51 1 0 31 52 1 0 32 53 1 0 34 54 1 0 M END