HMDB0240379 RDKit 3D HHPAA glucuronide 41 42 0 0 0 0 0 0 0 0999 V2000 -4.8943 -0.2644 -0.4621 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0559 0.2201 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6232 0.9910 1.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0113 0.9934 1.4446 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6928 0.0699 0.1523 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0303 -0.6100 -0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7294 -1.2353 -1.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0941 -1.9135 -2.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7254 -1.9577 -2.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0161 -1.3378 -1.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6105 -0.6377 -0.8717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0509 -0.0476 0.0631 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7172 0.5469 1.0050 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4893 1.6082 0.5352 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6008 1.3328 -0.1711 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3463 1.4444 -1.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2194 1.7677 -2.0342 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3612 1.1896 -2.5112 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1765 -0.0099 0.2059 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5211 -0.1136 -0.1566 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0115 -0.1417 1.7157 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7700 -1.1752 2.2035 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5287 -0.3425 1.9360 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2158 -0.0758 3.2514 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1785 1.9951 1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3292 0.3906 2.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3395 1.9295 1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0823 0.5292 0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 -1.2567 -1.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6335 -2.4100 -3.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2259 -2.4865 -3.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0687 -1.3773 -1.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 1.0776 1.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3701 2.1396 0.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1015 1.8894 -2.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -0.8426 -0.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6497 -1.0268 -0.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3481 0.8193 2.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8778 -1.1050 3.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2477 -1.3858 1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8365 0.8191 3.3701 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 2 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 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 6 1 0 23 13 1 0 3 25 1 0 3 26 1 0 4 27 1 0 5 28 1 0 7 29 1 0 8 30 1 0 9 31 1 0 10 32 1 0 13 33 1 1 15 34 1 1 18 35 1 0 19 36 1 6 20 37 1 0 21 38 1 1 22 39 1 0 23 40 1 6 24 41 1 0 M END