HMDB0010350 RDKit 3D 2-Phenylethanol glucuronide 39 40 0 0 0 0 0 0 0 0999 V2000 -1.1329 2.4069 -1.1255 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3226 2.0481 -1.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2801 3.0657 -1.1903 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7868 0.6649 -1.4993 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8104 -0.2814 -1.5554 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2443 -0.6988 -0.3939 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3134 0.2066 0.0412 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -0.3672 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9211 0.7059 0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3031 0.1890 0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8687 -0.4453 1.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1568 -0.9285 1.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9242 -0.7710 0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3957 -0.1437 -0.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1081 0.3286 -0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1907 -1.0751 0.7098 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5444 -2.4216 0.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4072 -0.1945 0.7838 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2365 0.8818 1.6497 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8723 0.2165 -0.5827 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4546 -0.9351 -1.1642 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 3.6339 -1.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2544 0.6896 -2.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -1.6561 -0.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9989 -1.2131 0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -0.7359 -0.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 1.5788 -0.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5776 0.9764 1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2335 -0.5559 2.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5741 -1.4303 2.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9260 -1.1390 0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0028 -0.0186 -1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7384 0.8143 -1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6415 -0.9589 1.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3934 -2.7613 -0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2252 -0.8180 1.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 1.6499 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6919 0.9509 -0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9623 -1.4584 -0.4937 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 6 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 4 1 0 15 10 1 0 3 22 1 0 4 23 1 6 6 24 1 6 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 16 34 1 1 17 35 1 0 18 36 1 1 19 37 1 0 20 38 1 1 21 39 1 0 M END