HMDB0037752 RDKit 3D Gossypetin 8-glucuronide 3-sulfate 57 60 0 0 0 0 0 0 0 0999 V2000 6.3934 0.9211 0.8168 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2744 0.8405 1.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1640 -0.0752 2.4368 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1478 1.7349 1.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0725 1.4484 1.8134 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0191 0.8614 1.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 0.3631 2.0082 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7793 -1.0197 1.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5089 -1.9345 2.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5243 -1.5272 3.5042 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2139 -3.2938 2.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2071 -3.6802 1.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1461 -5.0173 1.5016 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5272 -2.7392 0.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5326 -3.1061 0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8121 -4.3055 -0.0218 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2175 -2.0906 -0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2322 -2.5405 -1.4193 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8310 -2.7442 -0.8487 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.0225 -4.2329 -0.6587 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8046 -2.2969 -1.8984 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0805 -1.9184 0.5862 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -0.7784 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 0.2898 -1.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4001 1.6117 -0.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 2.7026 -1.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7597 2.5296 -2.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3606 3.5977 -3.0801 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9943 1.2612 -2.8784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8151 1.0362 -3.9936 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4082 0.1547 -2.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9148 -0.4874 0.3909 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 -1.3895 1.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5163 1.9092 0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5006 3.1359 0.8398 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5914 2.0492 -0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1963 1.1731 -1.9579 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9298 1.5609 -0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9176 2.3244 -1.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3741 0.1140 3.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5112 2.7723 1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4737 0.0608 0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7259 -0.5476 3.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 -4.0165 3.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3718 -5.7055 2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2783 -1.3510 0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7731 1.7424 0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7847 3.7250 -0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2075 4.5409 -2.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2369 1.8293 -4.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6088 -0.8051 -2.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 1.7209 -0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5471 3.9023 0.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5915 3.0604 -1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3753 0.2196 -1.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 0.5076 -0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0746 1.9021 -2.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 2 0 19 22 1 0 17 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 2 0 23 32 1 0 32 33 1 0 6 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 4 1 0 33 8 1 0 33 14 2 0 31 24 1 0 3 40 1 0 4 41 1 0 6 42 1 0 10 43 1 0 11 44 1 0 13 45 1 0 22 46 1 0 25 47 1 0 26 48 1 0 28 49 1 0 30 50 1 0 31 51 1 0 34 52 1 0 35 53 1 0 36 54 1 0 37 55 1 0 38 56 1 0 39 57 1 0 M END