HMDB0240501 RDKit 3D Dihydroresveratrol 4'-glucuronide 51 53 0 0 0 0 0 0 0 0999 V2000 -4.5159 3.6688 1.3903 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2126 2.9474 0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2242 3.5210 -0.1184 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9986 1.4972 0.5181 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9325 1.0912 1.3553 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4115 -0.0644 0.7326 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2635 -0.5313 1.3412 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9946 -0.6417 0.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0166 -1.1496 1.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3018 -1.2868 1.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6631 -0.9134 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0644 -1.0558 -0.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8418 0.2079 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2517 0.0876 -0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6166 0.4749 -1.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9159 0.3599 -2.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2728 0.7521 -3.5647 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8951 -0.1379 -1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5427 -0.5305 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5210 -1.0344 0.6885 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2327 -0.4117 0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -0.4059 -0.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 -0.2691 -0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5102 -1.0964 0.6223 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8435 -1.3701 -0.7098 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7705 -0.7050 1.3286 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7352 -0.9620 2.7001 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2084 0.7020 1.0158 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2762 0.7772 0.1567 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3592 3.2032 -1.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8184 1.1611 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1712 0.2512 -0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -1.4689 2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0565 -1.6939 1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5271 -1.8940 0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0631 -1.2629 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8664 0.3540 0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3931 1.0949 -0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 0.8665 -2.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 1.1220 -4.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9278 -0.2434 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4684 -1.1197 0.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9994 -0.7338 1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9856 -0.1151 -1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3223 0.1383 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1872 -2.0805 1.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5478 -2.0384 -0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5841 -1.3771 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2481 -0.2095 3.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4993 1.1901 1.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0262 1.3347 0.5363 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 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 1 0 19 21 2 0 11 22 1 0 22 23 2 0 6 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 4 1 0 23 8 1 0 21 14 1 0 3 30 1 0 4 31 1 6 6 32 1 6 9 33 1 0 10 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 15 39 1 0 17 40 1 0 18 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 23 45 1 0 24 46 1 1 25 47 1 0 26 48 1 6 27 49 1 0 28 50 1 1 29 51 1 0 M END