HMDB0059992 RDKit 3D 5-(4'-Hydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide 54 56 0 0 0 0 0 0 0 0999 V2000 -1.8425 2.1430 0.8374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 1.5709 -0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4213 0.1759 -0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7018 -0.1589 0.4931 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6156 -0.4927 0.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1983 -0.8035 1.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5242 -1.1504 1.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3388 -1.1990 0.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7506 -1.5905 0.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6285 -0.4438 1.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5693 0.6156 0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6568 0.1375 -0.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6860 -0.2981 0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9514 -0.1417 0.0981 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9967 -0.8996 1.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7654 -0.8919 -0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4117 -0.5408 -0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4531 -0.7754 -0.8717 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3169 -0.6774 0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0528 -1.9692 0.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8993 -1.8020 1.5301 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6608 -2.4922 -0.6641 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2281 0.4903 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4909 0.1488 -0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 1.4752 -0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1654 2.7976 -1.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3287 1.4458 1.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2378 3.0691 0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8429 2.4309 1.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5455 2.2691 -1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8381 0.1553 -1.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5848 -0.7719 2.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9909 -1.3941 2.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1635 -2.0577 -0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8032 -2.3234 1.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4505 -0.0635 2.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9165 1.6099 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5962 0.7325 -0.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 -0.7613 -1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0001 0.9410 -1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 -0.9262 -1.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0668 -0.3193 -1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7131 -0.4682 1.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2723 -2.7110 0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7054 -2.3608 1.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5133 -3.4699 -0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4725 0.9825 0.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1394 1.0500 -0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3316 -0.1044 -1.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0748 -0.6656 -0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5105 1.0159 -1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0462 2.8650 -0.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5894 2.9941 -2.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4395 3.6085 -0.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 8 16 1 0 16 17 2 0 3 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 19 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 2 1 0 17 5 1 0 15 10 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 3 31 1 0 6 32 1 0 7 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 16 41 1 0 17 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 22 46 1 0 23 47 1 0 24 48 1 0 24 49 1 0 24 50 1 0 25 51 1 0 26 52 1 0 26 53 1 0 26 54 1 0 M END