HMDB0170765 RDKit 3D 4-Allylphenol sulfate 24 24 0 0 0 0 0 0 0 0999 V2000 3.5729 1.8377 0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9084 0.8733 -0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 -0.4573 0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1945 -0.6399 0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4882 -1.2340 -0.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8797 -1.3868 -0.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5485 -0.9394 0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9070 -1.0908 0.5035 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9928 0.1010 -0.0567 S 0 0 0 0 0 6 0 0 0 0 0 0 -3.6579 0.4664 -1.4872 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3966 -0.4157 -0.0086 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9215 1.4969 0.8495 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -0.3433 1.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -0.2060 1.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 2.7995 -0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9283 1.6171 1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5336 1.0490 -1.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1381 -1.2785 -0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0291 -0.4403 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0585 -1.5658 -1.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 -1.8597 -1.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8337 1.3284 1.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3866 0.0147 2.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0113 0.2736 2.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 2 0 9 12 1 0 7 13 1 0 13 14 2 0 14 4 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 5 20 1 0 6 21 1 0 12 22 1 0 13 23 1 0 14 24 1 0 M END