HMDB0059985 RDKit 3D 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-sulphate 32 33 0 0 0 0 0 0 0 0999 V2000 -5.2965 -1.7550 -1.4996 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4043 -1.0145 -1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8768 0.2124 -1.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4251 0.1848 -1.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6184 -0.2859 0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4556 -1.0394 0.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2058 -0.2790 0.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1756 0.4946 1.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3623 1.1939 1.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6868 1.9515 3.0781 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1988 1.1326 0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 1.8527 0.8945 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8502 0.3759 -0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7156 0.3430 -1.2924 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9414 -0.8393 -1.3733 S 0 0 0 0 0 6 0 0 0 0 0 0 4.1401 -1.5215 -0.0474 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5498 -1.8384 -2.4151 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3665 -0.0396 -1.7797 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6462 -0.3216 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7316 -1.1557 0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9434 0.2185 -2.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3778 1.0782 -1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0502 1.2078 -1.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 -0.5241 -1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9098 0.5720 0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3656 -1.9999 0.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7194 -1.3165 1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4895 0.5441 2.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0854 2.0076 3.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0311 1.8265 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1395 -0.3616 -1.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4278 -0.9040 -1.0922 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 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 2 0 15 18 1 0 13 19 2 0 5 20 1 0 20 2 1 0 19 7 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 8 28 1 0 10 29 1 0 12 30 1 0 18 31 1 0 19 32 1 0 M END