HMDB0240471 RDKit 3D 5-(3'-Hydroxyphenyl)-γ-valerolactone 3'-glucuronide 46 48 0 0 0 0 0 0 0 0999 V2000 7.7932 0.4009 -1.2062 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5775 0.3238 -0.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5594 -0.3860 -1.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2776 -0.0020 -0.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8005 0.0878 0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8766 0.8716 1.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5349 0.3079 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2155 -0.6137 2.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9724 -1.1596 2.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0299 -0.7647 1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2398 0.1503 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7296 0.5388 -0.1649 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0258 0.0836 -0.1658 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2869 -0.5178 -1.4078 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5492 -1.0746 -1.3238 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8000 -2.0937 -2.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9242 -2.3879 -3.1773 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0185 -2.7418 -2.3877 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5482 0.0674 -1.3720 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8560 -0.3841 -1.4485 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3690 0.8596 -0.0829 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2243 1.9355 -0.0516 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9358 1.2979 0.0255 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6878 1.7655 1.3193 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5383 0.6818 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9848 0.8542 0.2934 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5464 -0.0766 -2.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 -1.4956 -1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4799 -0.7278 -1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 1.0237 -1.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1034 -0.8743 0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7692 1.8872 0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3522 0.9890 2.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9977 -0.9069 3.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -1.8749 3.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9786 -1.2445 1.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3232 -0.6500 0.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6334 -1.5130 -0.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5533 -2.8230 -1.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2799 0.7416 -2.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4258 0.3628 -1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5848 0.1817 0.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8644 2.7092 -0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6634 2.0384 -0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 2.7479 1.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7209 1.4044 -0.1694 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 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 2 0 5 26 1 0 26 2 1 0 25 7 1 0 23 13 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 10 36 1 0 13 37 1 1 15 38 1 1 18 39 1 0 19 40 1 6 20 41 1 0 21 42 1 1 22 43 1 0 23 44 1 6 24 45 1 0 25 46 1 0 M END