HMDB0041540 RDKit 3D N-(5-Methyl-3-oxohexyl)alanine 33 32 0 0 0 0 0 0 0 0999 V2000 -3.5299 -0.7374 1.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0113 0.4331 0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9593 1.5662 0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4594 0.1477 -0.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1991 -0.6132 -1.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0885 -1.5623 -1.8088 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0138 -0.0296 -0.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2506 -0.3072 -1.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3913 0.3167 -0.7546 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0920 -0.2141 0.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7349 -1.5474 0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8892 0.7160 1.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9351 0.6328 2.3719 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6095 1.7464 0.4692 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0586 -1.6502 1.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5827 -0.9523 0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9004 -0.3347 2.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0751 0.7808 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9375 1.1713 -0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 2.3656 -0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1216 2.0250 1.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5626 0.9399 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2865 -0.6692 -1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1253 1.0458 -0.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1247 -0.5773 0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 0.0620 -2.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4169 -1.4024 -1.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1551 0.1741 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1624 -0.4421 1.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3082 -1.5940 -0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4658 -1.6520 1.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0054 -2.3462 0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9241 2.5081 1.0446 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 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 10 12 1 0 12 13 2 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 11 32 1 0 14 33 1 0 M END