HMDB0060030 RDKit 3D 5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl 50 52 0 0 0 0 0 0 0 0999 V2000 -6.7803 2.7275 -0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0020 1.5318 -0.6035 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6138 1.5643 -0.5695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0583 2.6873 -0.5763 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7663 0.3515 -0.5261 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4486 0.7286 -0.5001 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5918 -0.2283 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2952 0.2471 -0.1128 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7255 -0.3779 -0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5742 -1.5890 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6117 -2.2344 -2.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 -3.4667 -2.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 -1.6251 -2.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0283 -0.3869 -1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3646 0.2617 -1.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2583 -0.1517 -0.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6465 0.2382 0.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9050 0.4587 1.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7752 1.1454 0.6704 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5845 2.0663 0.9478 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4829 0.5522 -0.5501 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9928 0.2227 -0.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8261 -0.3658 1.5480 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4413 -1.6343 1.9875 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2775 -0.1157 1.8945 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4267 1.1876 2.3298 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1754 -0.4334 0.7181 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1490 -1.7808 0.4286 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1465 3.6164 -0.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2203 2.8398 0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5705 2.6910 -1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0360 -0.2425 -1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8254 -1.2008 -0.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3744 -2.1037 -1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1207 -3.9590 -3.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6904 -2.0552 -2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8237 0.1323 -2.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1826 1.3571 -1.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5119 -1.2285 -0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1497 1.2157 0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9897 -0.5389 1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3420 -0.4910 2.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6313 1.1468 2.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0861 1.1900 -0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2212 0.3646 2.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7107 -2.3439 1.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5539 -0.8011 2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 1.1928 3.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2059 -0.1448 1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8623 -2.2178 0.9724 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 14 22 2 0 7 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 5 1 0 22 9 1 0 21 16 1 0 1 29 1 0 1 30 1 0 1 31 1 0 5 32 1 6 7 33 1 0 10 34 1 0 12 35 1 0 13 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 17 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 22 44 1 0 23 45 1 1 24 46 1 0 25 47 1 1 26 48 1 0 27 49 1 1 28 50 1 0 M END