HMDB0240365 RDKit 3D N,N,N-Trimethyl-L-alanyl-L-proline betaine 36 36 0 0 0 0 0 0 0 0999 V2000 -0.9774 -1.0205 -1.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0665 -0.4452 0.1214 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0520 0.4862 0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 1.6374 0.8218 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 0.1405 0.2503 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8933 -1.1353 -0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3659 -1.1879 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 -0.0027 1.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5592 0.9723 0.5044 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0497 1.6021 -0.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4189 2.5662 -1.2581 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1928 1.1725 -1.4163 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.3511 0.1513 0.3670 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.4767 0.7719 1.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3768 -0.8565 0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5631 1.1437 -0.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -2.0452 -1.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3831 -0.4039 -1.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9878 -1.1071 -1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9678 -1.2968 0.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7376 -1.3089 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -1.9904 0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9807 -1.0876 -0.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 -2.1081 0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6095 0.3644 0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2595 -0.3361 2.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2672 1.7338 1.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4174 0.4531 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 0.5501 2.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 1.8641 1.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8541 -0.8549 -0.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9915 -1.8759 0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1899 -0.6429 0.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1932 1.9829 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 0.6399 -1.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5829 1.4734 -1.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 2 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 9 5 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 1 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 9 27 1 1 14 28 1 0 14 29 1 0 14 30 1 0 15 31 1 0 15 32 1 0 15 33 1 0 16 34 1 0 16 35 1 0 16 36 1 0 M CHG 2 12 -1 13 1 M END