HMDB0034263 RDKit 3D Triethyl citrate 39 38 0 0 0 0 0 0 0 0999 V2000 4.6227 -2.3660 0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7893 -1.3739 -0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8798 -0.3004 -0.4532 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5148 -0.5341 -0.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -1.7300 -0.6316 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6001 0.6190 -0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1559 0.2706 -0.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0812 -0.3868 -1.7714 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3292 -0.5466 0.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7739 -0.8590 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5975 0.0338 0.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2636 -2.0613 0.0062 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6544 -2.2721 -0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3910 -2.1533 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6227 1.5366 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3346 1.8539 -1.5634 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5993 2.4210 0.4915 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3284 3.6264 0.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9197 4.5542 -0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5757 -2.5207 1.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3772 -3.3871 0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8518 -2.0832 1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8194 -0.9402 -0.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 -1.9183 -1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8304 1.2849 -1.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7621 1.2597 0.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0194 -1.3780 -1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2297 -1.4792 0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2007 0.0605 1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0931 -1.5280 -0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8620 -3.2821 -0.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8346 -1.1315 1.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8085 -2.4524 2.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2817 -2.8465 1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1087 4.1524 1.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4307 3.4396 0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3407 5.5566 -0.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2325 4.1885 -1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1986 4.6732 -0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 7 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 6 25 1 0 6 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 18 35 1 0 18 36 1 0 19 37 1 0 19 38 1 0 19 39 1 0 M END