HMDB0059772 RDKit 3D N-Phenylacetylglutamic acid 34 34 0 0 0 0 0 0 0 0999 V2000 5.0410 2.2682 -1.1424 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6387 1.4708 -0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3755 1.2400 0.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 0.7737 -0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0133 -0.1166 0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7268 -0.8519 0.5468 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6385 0.1214 0.4091 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3442 -0.0204 -0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 -1.0074 -1.3697 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4201 0.9521 -0.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7882 0.3945 -0.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4945 0.3447 0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7638 -0.1945 0.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3568 -0.7085 -0.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6685 -0.6682 -1.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3996 -0.1183 -1.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -1.5254 1.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5407 -1.2487 2.6283 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4018 -2.5167 2.1985 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8780 1.9991 1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4431 0.1588 -1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5658 1.5747 -0.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8294 -0.8768 0.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 0.4742 1.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7318 -1.5826 -0.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5753 0.9293 1.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3117 1.7912 0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3891 1.4822 -1.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0175 0.7463 1.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3290 -0.2429 1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3485 -1.1385 -0.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1568 -1.0767 -2.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8949 -0.1092 -2.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6604 -2.7180 3.1588 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 15 16 2 0 6 17 1 0 17 18 2 0 17 19 1 0 16 11 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 6 7 26 1 0 10 27 1 0 10 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 15 32 1 0 16 33 1 0 19 34 1 0 M END