HMDB0241867 RDKit 3D 4-Phenylbutanoylcarnitine 47 47 0 0 0 0 0 0 0 0999 V2000 -4.3243 0.4279 1.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7578 1.0537 0.1945 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.6294 0.7774 -0.9311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8852 2.5199 0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 0.7414 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9392 -0.6534 0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6217 -1.6282 -0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -3.0478 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4452 -3.3371 0.4887 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8365 -4.0347 -1.1927 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.5334 -0.7666 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4215 -1.0710 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -1.2650 2.0838 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 -1.1953 0.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 -0.9410 -0.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 -1.0579 -1.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4413 -0.1089 -0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0169 -0.4342 0.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8209 0.4401 1.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0842 1.6836 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5319 2.0650 -0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7280 1.1485 -1.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0232 -0.4027 1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9736 1.1972 1.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5552 0.1802 2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1108 0.3725 -1.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1735 1.7058 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4510 0.0652 -0.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9321 2.9974 -0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0568 2.9020 1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8437 2.7457 0.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2023 0.9856 -1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7561 1.4588 0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -0.9071 1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7269 -1.5485 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4811 -1.3713 -1.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2043 -2.1850 0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3871 -0.3851 1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 0.0081 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5893 -1.7437 -1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6736 -0.8709 -2.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8801 -2.1152 -1.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8012 -1.4126 1.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2378 0.1406 2.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7221 2.3446 1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7545 3.0444 -0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3186 1.4774 -1.9660 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 8 10 1 0 6 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 17 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 18 43 1 0 19 44 1 0 20 45 1 0 21 46 1 0 22 47 1 0 M CHG 2 2 1 10 -1 M END