HMDB0041693 RDKit 3D 5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide 47 49 0 0 0 0 0 0 0 0999 V2000 7.6017 0.2413 1.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4960 0.7116 0.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0355 0.8039 -0.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7133 1.5034 -0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2981 1.1562 1.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7582 -0.2482 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5698 -0.4751 0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 -0.9339 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6178 -1.1437 -1.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7329 -1.6126 -3.0811 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3468 -0.9064 -1.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1652 -0.4497 -0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0252 -0.1732 0.5807 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3199 -0.2812 0.0598 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8950 0.9882 0.1447 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 1.0223 -0.2286 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6813 2.4054 -0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8616 2.6743 -0.6132 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 3.4453 0.0101 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9916 0.1927 0.7968 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3456 0.3803 0.6975 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 -1.2479 0.5610 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2393 -2.1264 1.3862 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0706 -1.2936 0.8940 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5588 -2.5453 0.6557 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3005 -0.2373 0.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5160 1.2202 1.7401 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9062 -0.2305 -0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7535 1.3898 -1.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9826 1.2413 -1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9128 2.5927 -0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6021 1.8991 1.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 -0.9701 0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5328 -0.3913 2.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 -1.1360 -1.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7161 -2.6406 -3.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -1.0716 -1.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2607 -0.6448 -0.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4136 0.5423 -1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1142 4.3469 0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5662 0.4816 1.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8197 -0.3485 1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6691 -1.4672 -0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0100 -3.0417 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9339 -1.0335 1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8422 -2.7184 1.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 0.1305 1.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 16 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 12 26 2 0 5 27 1 0 27 2 1 0 26 7 1 0 24 14 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 8 35 1 0 10 36 1 0 11 37 1 0 14 38 1 6 16 39 1 6 19 40 1 0 20 41 1 1 21 42 1 0 22 43 1 6 23 44 1 0 24 45 1 1 25 46 1 0 26 47 1 0 M END