HMDB0240473 RDKit 3D 5-(3',4'-Dihydroxyphenyl)-γ-valerolactone 4'-sulfate 31 32 0 0 0 0 0 0 0 0999 V2000 -3.8217 2.7703 -1.6165 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 1.7169 -1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2907 0.9273 -0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8940 -0.4899 -0.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3871 -0.3065 -0.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -0.5743 0.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2671 -0.4438 0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2794 0.7963 0.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6654 0.9853 0.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5195 -0.0387 0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8741 0.1038 0.5496 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7883 0.5269 -0.8089 S 0 0 0 0 0 6 0 0 0 0 0 0 4.1341 -0.1325 -2.0161 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7886 1.9941 -1.0818 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3528 -0.0793 -0.7389 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9599 -1.2758 0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8419 -2.3267 0.0126 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5973 -1.4815 0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2536 1.0316 -1.1065 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9523 1.0926 0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3558 1.1274 -0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -1.2102 0.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4157 -0.7367 -1.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0691 -0.9581 -1.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9752 -1.5660 1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1351 0.1672 1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3068 1.6742 1.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0783 1.9511 1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4410 -0.5734 0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -2.2082 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2124 -2.4636 0.0936 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 11 12 1 0 12 13 2 0 12 14 2 0 12 15 1 0 10 16 1 0 16 17 1 0 16 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 15 29 1 0 17 30 1 0 18 31 1 0 M END