HMDB0240654 RDKit 3D 4-Ethylphenol glucuronide 39 40 0 0 0 0 0 0 0 0999 V2000 5.9292 0.8913 -0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1412 0.3243 -1.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 0.0175 -0.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7578 0.9640 -1.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4526 0.6773 -0.6187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1579 -0.5548 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0781 -0.9664 0.3333 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -0.2321 0.3540 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7604 -0.1883 1.6493 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0422 0.2954 1.7276 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0245 -0.7455 2.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2309 -0.4058 2.2487 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6375 -2.0279 2.4117 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5165 1.0221 0.5076 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8257 2.2554 0.4637 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 0.2658 -0.7678 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5313 -0.2017 -1.3051 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3239 -0.8300 -0.5655 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7612 -1.0998 -1.8108 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -1.5088 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4457 -1.2243 -0.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5666 0.1122 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2163 1.2012 0.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5007 1.8075 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1553 1.0598 -2.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6154 -0.6237 -1.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9567 1.9479 -1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6793 1.4210 -0.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0832 0.7843 -0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0468 1.0520 2.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8895 -2.2713 3.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5923 1.2667 0.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1307 2.7581 1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9124 0.9692 -1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2626 0.0918 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7351 -1.7576 -0.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7248 -2.0451 -2.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9727 -2.5105 0.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 -1.9912 -0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 10 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 6 20 1 0 20 21 2 0 21 3 1 0 18 8 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 4 27 1 0 5 28 1 0 8 29 1 6 10 30 1 1 13 31 1 0 14 32 1 1 15 33 1 0 16 34 1 6 17 35 1 0 18 36 1 1 19 37 1 0 20 38 1 0 21 39 1 0 M END