HMDB0240527 RDKit 3D Homovanillyl alcohol glucuronide 44 45 0 0 0 0 0 0 0 0999 V2000 1.9117 -2.7989 -2.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0364 -1.9729 -2.0819 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5157 -0.9801 -1.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8772 -0.8142 -1.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4016 0.1577 -0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8742 0.3494 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4027 -0.5098 1.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7719 -0.2816 1.1215 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5294 0.9689 0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1616 0.7893 0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6076 -0.1681 -0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7443 -0.3672 -0.7094 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7919 0.3196 -0.1216 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5739 -0.5059 0.7167 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2791 0.3624 1.5482 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8094 -0.3051 2.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4663 0.3673 3.5752 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6212 -1.6543 3.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3748 0.9978 0.7397 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5866 2.3017 1.2436 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1275 0.9955 -0.7313 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7561 -0.0720 -1.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6852 1.0238 -1.1204 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3039 2.3338 -1.3505 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7162 -3.2118 -2.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4191 -3.6445 -3.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4001 -2.1855 -3.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5961 -1.4406 -1.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3684 -0.0570 -1.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1482 1.3994 0.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1348 -1.5584 0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9580 -0.1873 2.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0580 -0.0694 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9112 1.7318 1.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 1.4524 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4036 1.1069 0.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5615 1.1940 1.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0629 -2.3747 2.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3248 0.4289 0.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7635 2.5881 1.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6236 1.9213 -1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1418 -0.7454 -1.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5539 0.4698 -2.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7794 2.6452 -0.5625 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 1 0 6 7 1 0 7 8 1 0 5 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 15 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 11 3 1 0 23 13 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 9 34 1 0 10 35 1 0 13 36 1 1 15 37 1 1 18 38 1 0 19 39 1 6 20 40 1 0 21 41 1 6 22 42 1 0 23 43 1 6 24 44 1 0 M END