HMDB0240531 RDKit 3D Hydroxytyrosol 4'-glucuronide 41 42 0 0 0 0 0 0 0 0999 V2000 -5.7546 -1.0858 0.2144 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5497 -1.0420 0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0017 -2.2424 1.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7251 0.1637 0.5655 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4636 -0.1216 1.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4839 -0.1113 0.0192 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4102 -0.8574 0.4506 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8452 -0.3820 0.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1804 0.9087 0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4913 1.3200 0.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4321 0.4395 1.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 0.9214 1.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6464 0.7642 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0348 1.5102 -1.0518 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1087 -0.8638 1.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8191 -1.2795 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4683 -2.6041 1.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0033 -0.7100 -1.2758 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9186 -0.7790 -2.1556 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9984 0.2626 -1.8423 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8273 -0.3210 -2.8017 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7530 0.9155 -0.7348 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2643 2.1993 -0.4911 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5309 -2.3828 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1810 0.8643 1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3078 0.9538 -0.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5077 1.6735 0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7603 2.3578 0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8456 1.9943 1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2495 0.3710 2.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 -0.3104 -0.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6659 1.1442 0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0255 0.9931 -1.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8765 -1.5413 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 -3.2782 1.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3883 -1.7246 -1.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1744 -1.3166 -1.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4035 1.0416 -2.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7218 -0.4609 -2.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8116 1.0386 -1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9741 2.8206 -0.1721 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 16 17 1 0 6 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 4 1 0 16 8 1 0 3 24 1 0 4 25 1 1 6 26 1 6 9 27 1 0 10 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 14 33 1 0 15 34 1 0 17 35 1 0 18 36 1 1 19 37 1 0 20 38 1 6 21 39 1 0 22 40 1 6 23 41 1 0 M END