HMDB0240732 RDKit 3D Aminovaleric acid betaine 28 27 0 0 0 0 0 0 0 0999 V2000 -2.1506 -0.3681 1.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7924 -0.0025 -0.0275 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.9237 1.4175 -0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7346 -0.6662 -0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4746 -0.4102 -0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 0.2364 0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9377 -0.2841 -0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1281 0.3097 0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 -0.2782 -0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3113 -1.1189 -0.9918 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6233 0.0782 0.3971 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.1300 0.1029 1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3133 -1.4752 1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.0200 2.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8904 1.6697 -0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9099 1.9459 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1309 1.8107 -0.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2928 -1.6537 -1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -0.0539 -1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6826 -0.8420 -0.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3469 -0.1363 -1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3398 -1.5177 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5648 1.3404 0.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 -0.0557 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0463 -0.0740 -1.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9636 -1.3806 -0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1144 0.0111 1.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1377 1.4148 0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 M CHG 2 2 1 11 -1 M END