HMDB0006061 RDKit 3D 4-Hydroxyphenylacetylglutamic acid 35 35 0 0 0 0 0 0 0 0999 V2000 3.9462 -1.5959 -0.1073 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6235 -0.6900 0.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7643 -1.0326 1.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3082 0.7557 0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 1.0614 -0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8063 0.4454 0.0690 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6550 0.7851 -0.7446 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -0.2178 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0869 -1.4098 -0.6435 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4972 -0.0324 -1.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 -0.2237 -1.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2962 0.8917 -0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4112 0.7209 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9482 -0.5388 0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0803 -0.6600 1.3415 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3849 -1.6463 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2592 -1.4804 -0.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4916 0.9379 1.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4026 1.5448 1.7125 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3903 0.7323 2.4848 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6584 -0.7927 0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3389 1.1750 1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1383 1.2846 -0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9839 2.1645 -0.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2281 0.6187 -1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8383 -0.6743 0.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5579 1.7691 -1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5068 0.9379 -2.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4748 -0.8283 -2.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8336 1.8721 -0.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8782 1.5709 0.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5311 -1.5364 1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7872 -2.6385 0.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7956 -2.3196 -1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5594 1.3754 3.2369 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 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 6 18 1 0 18 19 2 0 18 20 1 0 17 11 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 1 7 27 1 0 10 28 1 0 10 29 1 0 12 30 1 0 13 31 1 0 15 32 1 0 16 33 1 0 17 34 1 0 20 35 1 0 M END