HMDB0059984 RDKit 3D 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide 48 50 0 0 0 0 0 0 0 0999 V2000 -3.9964 0.2673 -3.7325 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3174 0.1253 -2.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1588 1.0742 -1.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2372 0.4201 -0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7052 -0.9492 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9438 -1.5043 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7384 -0.7411 0.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7794 0.2583 1.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6311 0.9651 2.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7478 1.9930 3.1883 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4499 0.6297 1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6841 1.3352 1.9538 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3524 -0.3941 0.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7883 -0.7515 0.0392 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0681 -0.3120 0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5592 0.1106 -1.1756 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7166 0.8374 -0.9165 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0951 1.6876 -2.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1218 2.4059 -1.9663 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3557 1.7233 -3.2095 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8406 -0.1130 -0.5219 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0075 0.6015 -0.3603 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3724 -0.7538 0.7905 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3129 -1.6284 1.2925 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0587 -1.4326 0.4807 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5734 -2.1771 1.5331 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5605 -1.0571 0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9329 -0.9313 -1.7271 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1537 1.2168 -2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6521 2.0560 -1.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3292 0.4491 -0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7248 1.0825 0.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5594 -1.6384 -0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5824 -1.5689 1.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6944 -2.5725 0.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7093 0.5520 2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 2.5090 3.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6833 2.0629 2.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3278 0.5145 0.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5014 1.4352 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 2.5256 -3.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9770 -0.8767 -1.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7012 -0.0342 -0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1522 0.0975 1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8419 -2.4692 1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2098 -2.0408 -0.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 -3.1322 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4645 -1.8569 -0.3683 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 1 0 9 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 17 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 13 27 2 0 5 28 1 0 28 2 1 0 27 7 1 0 25 15 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 8 36 1 0 10 37 1 0 12 38 1 0 15 39 1 0 17 40 1 1 20 41 1 0 21 42 1 6 22 43 1 0 23 44 1 1 24 45 1 0 25 46 1 6 26 47 1 0 27 48 1 0 M END