HMDB0041646 RDKit 3D 2,4-Dihydroxyacetophenone 5-sulfate 23 23 0 0 0 0 0 0 0 0999 V2000 -1.8722 -2.4035 0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6401 -1.6745 0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 -2.3099 0.7372 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5921 -0.2283 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 0.4552 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7236 1.8469 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5566 2.5142 0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5065 3.8894 0.2006 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5701 1.8066 0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5823 0.4445 0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6907 -0.3081 1.0067 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8271 -0.8792 -0.1112 S 0 0 0 0 0 6 0 0 0 0 0 0 3.9329 0.1099 -0.3403 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4627 -2.1309 0.4181 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1323 -1.2406 -1.5877 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7608 -1.9098 0.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8258 -3.4177 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0454 -2.4964 -0.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6791 -0.0257 -0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6198 2.4043 -0.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2486 4.3193 -0.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4641 2.3514 0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 -1.1169 -2.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 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 4 1 0 1 16 1 0 1 17 1 0 1 18 1 0 5 19 1 0 6 20 1 0 8 21 1 0 9 22 1 0 15 23 1 0 M END