HMDB0249495 RDKit 3D N-Benzoyl-L-glutamic acid 31 31 0 0 0 0 0 0 0 0999 V2000 3.8252 -1.9474 0.0798 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2476 -0.9378 0.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6039 -0.6856 0.6425 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 -0.0503 1.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8953 -0.1909 1.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3369 0.2217 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1076 -0.1233 -0.0711 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0953 0.8724 -0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7337 2.0939 -0.1452 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5227 0.5995 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0402 -0.6819 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3908 -0.9394 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2941 0.0735 0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7822 1.3574 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4293 1.6153 0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 -0.3886 -1.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3302 -1.3101 -1.9944 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1381 0.0373 -1.8554 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0504 -0.3230 -0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 -0.2859 2.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6489 1.0270 1.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2719 0.3228 1.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6322 -1.2807 1.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 1.3437 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3091 -1.1418 -0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -1.5017 -0.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7818 -1.9394 -0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3576 -0.1246 0.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4943 2.1634 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1122 2.6484 0.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6705 -0.5239 -2.5104 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 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 6 16 1 0 16 17 2 0 16 18 1 0 15 10 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 7 25 1 0 11 26 1 0 12 27 1 0 13 28 1 0 14 29 1 0 15 30 1 0 18 31 1 0 M END