HMDB0257554 RDKit 3D 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxyme... 68 72 0 0 0 0 0 0 0 0999 V2000 0.6188 3.9612 1.0234 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1852 2.9193 0.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 2.8847 0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0967 1.6606 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5199 1.7380 -0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1503 2.9374 -0.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5240 3.0113 -0.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3207 1.9147 -0.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7079 1.9874 -0.8785 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6958 0.6868 -0.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 0.6144 -0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3623 0.5553 -0.0856 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0564 0.5508 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -0.6440 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0778 -1.8232 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4242 -1.5493 -0.5541 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2531 -2.5143 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6447 -3.8895 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2384 -4.2815 1.3333 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6149 -4.0920 -0.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1599 -4.4125 -2.2154 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6408 -2.9141 -1.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6248 -3.3499 -1.0762 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0336 -0.5577 0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8807 -1.5929 0.3012 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 0.6914 0.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0861 0.6029 0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6327 0.4333 -0.4397 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9182 0.0573 -0.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4054 0.5212 -1.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7247 0.2242 -2.1214 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8387 0.6907 0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0957 0.1155 0.5178 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2452 0.9167 1.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0214 1.8172 2.5404 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8892 1.6404 1.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3506 2.5669 0.5304 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9019 1.7938 0.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 2.9957 1.2011 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5077 1.7341 0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1243 3.7950 0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6374 3.8757 -0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9684 4.0090 -0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9775 1.9002 -1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3124 -0.1946 -0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -0.3711 -0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2082 -2.3181 0.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4554 -2.1857 1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2073 -2.5047 -0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 -4.6017 -0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0413 -4.4847 1.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9944 -4.9697 -0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -5.2255 -2.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -2.5469 -2.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7008 -4.1977 -1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1758 -2.4209 0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 -0.3803 1.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0349 -1.0535 -0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 -0.0748 -2.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1242 1.5804 -2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8804 -0.7166 -2.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0269 1.7445 0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6093 0.3120 1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0231 -0.0251 2.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0886 1.6476 3.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5976 2.0797 2.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7583 3.3013 1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1547 3.4239 1.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 4 12 1 0 12 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 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 14 24 1 0 24 25 1 0 24 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 29 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 26 38 1 0 38 39 1 0 38 40 2 0 40 2 1 0 11 5 1 0 40 13 1 0 22 15 1 0 36 27 1 0 3 41 1 0 6 42 1 0 7 43 1 0 9 44 1 0 10 45 1 0 11 46 1 0 15 47 1 0 17 48 1 0 17 49 1 0 18 50 1 0 19 51 1 0 20 52 1 0 21 53 1 0 22 54 1 0 23 55 1 0 25 56 1 0 27 57 1 0 29 58 1 0 30 59 1 0 30 60 1 0 31 61 1 0 32 62 1 0 33 63 1 0 34 64 1 0 35 65 1 0 36 66 1 0 37 67 1 0 39 68 1 0 M END