HMDB0040515 RDKit 3D gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine 36 36 0 0 0 0 0 0 0 0999 V2000 3.0741 -3.5641 -1.7010 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9751 -2.1203 -1.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5162 -1.7919 -1.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3099 -0.3378 -1.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1269 0.0310 -1.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -0.8596 -1.1403 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4757 1.3712 -0.8027 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8411 1.8527 -0.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1468 2.4066 0.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9694 1.3970 1.6984 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9747 0.5657 2.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4856 -0.2708 3.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1703 0.0961 3.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3781 -0.4419 4.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9302 1.0774 2.3949 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1238 2.8011 -1.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 3.0906 -2.6228 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3625 3.4145 -1.9069 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6812 -1.8406 -0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9346 -0.6778 0.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 -2.8712 0.6064 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6063 -3.6919 -2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1411 -3.9945 -1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3861 -1.5472 -2.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9669 -2.1519 -2.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1447 -2.3982 -0.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7767 0.2274 -1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8342 -0.0356 -0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2628 2.1311 -0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4956 0.9517 -0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5466 3.3198 0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2095 2.7229 0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9676 0.5850 1.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0131 -1.0390 3.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4744 4.3377 -1.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 -2.7449 1.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 8 16 1 0 16 17 2 0 16 18 1 0 2 19 1 0 19 20 2 0 19 21 1 0 15 10 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 7 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 11 33 1 0 12 34 1 0 18 35 1 0 21 36 1 0 M END