HMDB0001345 RDKit 3D 4-Trimethylammoniobutanal 25 24 0 0 0 0 0 0 0 0999 V2000 -1.0665 0.3107 -1.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2053 0.1147 -0.0829 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.4145 1.3559 0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4342 -0.6731 0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1166 -0.6640 0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1877 -0.0123 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3839 -0.7623 0.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6016 -0.0318 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5094 0.9895 -0.5134 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0544 0.7250 -1.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.6562 -2.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3138 1.0679 -1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6886 2.1169 -0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2391 1.2713 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5374 1.7552 1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8494 -0.4493 1.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 -0.3353 -0.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1748 -1.7373 -0.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2453 -0.7464 1.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1541 -1.6752 0.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2545 -0.0304 -1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2531 1.0306 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3827 -0.7619 1.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3984 -1.8198 0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5937 -0.3826 0.3904 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 2 0 1 10 1 0 1 11 1 0 1 12 1 0 3 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 M CHG 1 2 1 M END