HMDB0240548 RDKit 3D O-Coumaric acid glucuronide 40 41 0 0 0 0 0 0 0 0999 V2000 2.4606 3.8183 1.6979 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1385 2.8626 1.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5173 2.9485 1.2396 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 1.6041 0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1607 0.5848 0.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7771 -0.7165 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8168 -1.6316 -0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5665 -2.8920 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2657 -3.2740 -0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2528 -2.3936 -0.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4745 -1.0472 -0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3945 -0.3682 -0.0821 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 0.3219 0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4075 -0.1992 1.1814 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7569 -0.1883 1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3515 -1.4516 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 -1.5306 0.4489 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5504 -2.5300 0.3254 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3574 1.0384 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7487 0.8864 0.4115 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7628 1.2719 -0.8896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2597 2.5710 -0.9441 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 0.3347 -1.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8715 0.9481 -2.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0595 2.2233 1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4393 1.5926 0.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2711 0.7937 0.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8414 -1.3188 -0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4053 -3.5463 -0.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1233 -4.2885 -1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2535 -2.7337 -0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6768 1.4247 0.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1183 -0.1309 2.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8003 -3.4968 0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1702 1.8954 1.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0789 1.5064 -0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5421 1.1200 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 2.9548 -0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8924 -0.6526 -1.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3837 1.6887 -1.7411 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 2 3 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 4 26 1 0 5 27 1 0 7 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 13 32 1 0 15 33 1 0 18 34 1 0 19 35 1 0 20 36 1 0 21 37 1 0 22 38 1 0 23 39 1 0 24 40 1 0 M END