HMDB0059981 RDKit 3D 4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate 32 32 0 0 0 0 0 0 0 0999 V2000 2.8174 -1.3588 0.8694 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5931 -0.1590 0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3286 0.5638 0.8433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2372 -0.3196 1.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2547 -1.3421 0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7304 -2.2028 -0.0876 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -0.7101 -0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1698 0.0513 -0.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1243 1.3826 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2493 2.1022 0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4568 1.4479 0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5229 0.1101 0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4105 -0.5652 -0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6713 0.4923 -0.0433 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1074 -0.3633 -0.3327 S 0 0 0 0 0 6 0 0 0 0 0 0 5.3252 -1.4435 0.6932 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1190 -1.0271 -1.6796 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3892 0.7139 -0.1847 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0597 1.1749 -0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4821 1.3328 1.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5606 -0.8843 2.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6473 0.2690 1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0871 -1.9268 0.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5882 -2.4047 -1.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3031 -1.5441 -1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 -0.0775 -1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1846 1.9095 -0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2006 3.1507 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3426 2.0041 0.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4876 -0.4017 0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4317 -1.6313 -0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1023 1.6568 -0.2868 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 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 2 14 1 0 14 15 1 0 15 16 2 0 15 17 2 0 15 18 1 0 13 8 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 9 27 1 0 10 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 18 32 1 0 M END