HMDB0240475 RDKit 3D 5-(4’-hydroxyphenyl)-γ-valerolactone 4'-glucuronide 46 48 0 0 0 0 0 0 0 0999 V2000 5.0010 3.5394 -0.6479 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 2.3421 -0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4786 1.8301 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2329 0.3194 0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7415 0.2559 0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1647 -1.0251 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6904 -0.9875 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -1.4748 1.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7086 -1.4469 1.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0885 -0.8991 0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4353 -0.9050 0.4398 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4282 -0.4245 -0.3957 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1127 0.6229 0.2672 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1997 0.9458 -0.5410 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6233 2.3269 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5996 2.8112 -0.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9599 3.0853 0.6501 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3037 -0.0568 -0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1805 0.4254 0.6776 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6206 -1.3513 0.1817 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2460 -1.2860 1.5136 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3965 -1.5770 -0.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -2.8018 -0.2836 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4952 -0.4062 -0.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8731 -0.4557 -1.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3196 1.3065 -0.5704 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6340 2.1578 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3657 2.0949 -0.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6701 -0.1087 1.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6321 -0.1131 -0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4719 0.4256 1.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3536 -0.9990 -1.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6084 -1.9269 0.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6975 -1.8922 1.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2573 -1.8392 2.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1004 -0.0002 -1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 0.8351 -1.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 3.9921 0.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8097 -0.3020 -1.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7117 0.9537 1.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2897 -2.2262 0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0705 -1.2446 2.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6379 -1.6137 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7394 -2.8789 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1341 0.0174 -1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2786 -0.0452 -2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 14 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 10 24 1 0 24 25 2 0 5 26 1 0 26 2 1 0 25 7 1 0 22 12 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 8 34 1 0 9 35 1 0 12 36 1 6 14 37 1 6 17 38 1 0 18 39 1 0 19 40 1 0 20 41 1 1 21 42 1 0 22 43 1 0 23 44 1 0 24 45 1 0 25 46 1 0 M END