HMDB0029191 RDKit 3D 5'-(3',4'-Dihydroxyphenyl)-gamma-valerolactone sulfate 31 32 0 0 0 0 0 0 0 0999 V2000 -5.1173 -1.2726 -0.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1401 -0.4594 -0.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2052 0.9898 -0.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2086 1.5632 0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1563 0.4503 0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0931 0.8041 -0.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0051 -0.1755 -0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0212 -1.2795 -1.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0905 -2.1418 -1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1715 -1.9103 -0.6984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2345 -2.8067 -0.7104 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1773 -0.8121 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2647 -0.6115 0.9729 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6329 0.2701 0.5720 S 0 0 0 0 0 6 0 0 0 0 0 0 5.4747 -0.3538 -0.4818 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4943 0.3732 1.8212 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2736 1.8405 0.1035 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0865 0.0311 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8565 -0.7170 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1938 1.4354 -0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 1.2249 -1.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8033 2.4842 -0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6592 1.7657 1.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7892 0.3637 1.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6168 0.9071 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 1.7967 -0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8115 -1.4366 -2.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0522 -2.9906 -2.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0216 -2.6575 -0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1669 2.4338 0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1336 0.8912 0.7738 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 2 0 10 11 1 0 10 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 9 28 1 0 11 29 1 0 17 30 1 0 18 31 1 0 M END