HMDB0240563 RDKit 3D Tyrosol glucuronide 40 41 0 0 0 0 0 0 0 0999 V2000 -5.4251 -1.3980 1.9871 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2934 -1.5938 1.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9412 -2.9029 1.2081 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3399 -0.5036 1.1683 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2156 -1.0482 0.6327 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3312 -0.1418 0.0727 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2420 -0.8531 -0.4298 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 -0.6385 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -1.4943 -0.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3393 -1.3361 -0.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -0.3314 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2425 -0.1807 0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8414 0.7484 -0.6465 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6090 0.2237 -1.8984 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 0.5177 0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5427 0.3634 0.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0692 0.4906 -1.1133 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2292 1.1622 -1.9581 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 1.3743 -0.4893 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8824 2.0263 -1.4676 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0564 0.4724 0.2708 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8581 1.2963 1.0934 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0138 -3.1915 0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 0.0154 2.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0608 0.6785 0.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6263 -2.2859 -1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0097 -2.0353 -1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4052 0.2832 1.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7234 -1.1867 0.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3126 1.7173 -0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9198 0.8468 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7547 0.5793 -2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3219 1.2922 1.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 1.0503 1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6334 -0.3476 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5409 0.9892 -2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6413 2.0792 0.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7499 2.3160 -1.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6885 -0.0926 -0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8104 1.0393 0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 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 11 15 1 0 15 16 2 0 6 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 4 1 0 16 8 1 0 3 23 1 0 4 24 1 1 6 25 1 1 9 26 1 0 10 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 16 34 1 0 17 35 1 6 18 36 1 0 19 37 1 1 20 38 1 0 21 39 1 6 22 40 1 0 M END