HMDB0059986 RDKit 3D 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide 48 50 0 0 0 0 0 0 0 0999 V2000 6.1277 1.8965 2.2147 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8253 1.0222 1.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7567 -0.0187 0.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2398 -0.2353 -0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7567 0.0492 -0.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0481 -1.2861 -0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5751 -1.1300 -0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9353 -1.0067 1.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5674 -0.8626 1.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0433 -0.7419 2.3162 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -0.8338 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6048 -0.6912 0.0272 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3124 0.5345 0.0352 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9608 0.7815 1.2025 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2867 0.3927 1.2838 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4759 -1.0597 1.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4920 -1.8164 1.4748 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7458 -1.5731 1.5213 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1247 0.9918 0.1736 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1184 1.8369 0.6518 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2533 1.6944 -0.8482 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9614 2.0982 -1.9539 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1537 0.7169 -1.2007 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4382 1.3147 -2.2366 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4044 -0.9575 -1.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3367 -0.9380 -2.4261 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -1.1027 -1.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6219 0.8174 0.7251 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6589 -0.9726 1.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8085 0.3378 0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6891 0.4875 -1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4141 -1.2929 -0.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3737 0.5717 -1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3424 -1.9783 -1.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3970 -1.7497 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5726 -1.0295 1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5248 -0.7602 3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5011 1.3222 -0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6797 0.8545 2.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1394 -2.0508 0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6263 0.1559 -0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8299 1.8967 -0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7619 2.5798 -0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2403 3.0592 -1.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5537 -0.2409 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9416 1.1435 -3.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1065 -1.0265 -3.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2935 -1.2008 -2.3039 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 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 25 1 0 25 26 1 0 25 27 2 0 5 28 1 0 28 2 1 0 27 7 1 0 23 13 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 13 38 1 6 15 39 1 1 18 40 1 0 19 41 1 6 20 42 1 0 21 43 1 1 22 44 1 0 23 45 1 6 24 46 1 0 26 47 1 0 27 48 1 0 M END