HMDB0240474 RDKit 3D 5-(3',5'-Dihydroxyphenyl)-γ-valerolactone sulfate 31 32 0 0 0 0 0 0 0 0999 V2000 -4.1122 -0.1135 -2.3253 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5247 0.2801 -1.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0272 1.2974 -0.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2485 0.9145 0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9102 0.5358 0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2052 -0.3919 1.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1228 -0.8121 0.7692 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2893 -1.9414 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5174 -2.3407 -0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -3.4945 -1.2816 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6459 -1.6026 -0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -0.4701 0.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6686 0.2508 0.8407 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 1.5032 -0.1832 S 0 0 0 0 0 6 0 0 0 0 0 0 3.2924 1.6286 -1.3613 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5863 1.2635 -0.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2284 2.9672 0.6712 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2777 -0.0885 1.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2907 -0.1709 -0.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7151 2.2901 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1149 1.2322 -0.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6892 0.0058 1.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1778 1.7625 1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2878 1.4231 0.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1724 0.0270 2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8507 -1.3143 1.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5925 -2.5197 -0.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -4.3931 -0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6032 -1.9277 -0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3425 3.3866 0.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2056 0.8126 1.6541 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 2 0 14 16 2 0 14 17 1 0 12 18 2 0 5 19 1 0 19 2 1 0 18 7 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 8 27 1 0 10 28 1 0 11 29 1 0 17 30 1 0 18 31 1 0 M END