HMDB0127746 RDKit 3D 4-hydroxy-5-[4-hydroxy-3-(sulfooxy)phenyl]pentanoic acid 34 34 0 0 0 0 0 0 0 0999 V2000 -5.0910 -0.6153 1.6999 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8121 0.5411 1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8338 1.4607 1.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4099 0.8802 1.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 -0.1943 0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4524 0.1148 -0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6822 0.0983 0.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8917 -0.9989 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 -0.6332 -1.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9779 0.1366 -2.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3067 0.4641 -2.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 0.0174 -1.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5926 0.3625 -1.7696 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 -0.7547 -0.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 -1.1949 0.3762 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0682 -0.1683 1.7298 S 0 0 0 0 0 6 0 0 0 0 0 0 5.3357 -0.5728 2.3943 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 1.2306 1.1712 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7277 -0.2827 2.7322 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4957 -1.0666 -0.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8054 2.1589 0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8145 0.7840 2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2427 1.8538 0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0111 -1.1687 0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5271 -0.0714 -0.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3772 1.1006 -0.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7932 -0.7504 1.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4871 -1.0879 -2.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -1.9733 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2405 0.4869 -3.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6458 1.0729 -3.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2271 0.0157 -1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7101 0.4329 3.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -1.6785 0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 2 0 16 19 1 0 14 20 2 0 20 9 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 10 30 1 0 11 31 1 0 13 32 1 0 19 33 1 0 20 34 1 0 M END