HMDB0033876 RDKit 3D Dehydrodiferulic dilactone 46 49 0 0 0 0 0 0 0 0999 V2000 -5.9576 1.9514 -1.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8777 0.5888 -1.4407 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 -0.2628 -1.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8263 0.1243 -0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8447 -0.7623 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6999 -0.4438 1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3786 -1.4420 1.9242 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0761 -1.2203 2.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4512 -1.7423 3.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5992 -0.2736 1.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -0.9235 0.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7265 0.0187 0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 0.7314 -0.9858 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 1.6140 -1.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6105 1.8069 -0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5154 2.7108 -1.4421 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 1.1054 0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1109 1.3120 0.9018 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4344 0.6129 2.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9592 0.2256 0.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1829 -1.7906 -0.1798 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0155 -1.1633 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5197 -1.4605 -1.7342 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4185 -0.1530 0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9502 -2.0477 -0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9732 -2.4732 -1.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9761 -1.5838 -1.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9475 -1.9895 -2.2973 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5584 2.1330 -0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0055 2.2767 -1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 2.5590 -1.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7621 1.1444 0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9056 0.4861 1.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8399 0.6949 1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3027 -1.5406 1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5455 0.5767 -1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2061 2.1791 -2.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 2.8583 -0.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3515 1.0784 2.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6010 0.6519 2.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 -0.4454 1.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2018 -0.2983 1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4102 0.8832 -0.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2039 -2.8041 -0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0554 -3.4844 -1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6813 -2.0192 -2.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 17 20 2 0 11 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 5 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 3 1 0 24 6 1 0 24 10 1 0 20 12 1 0 1 29 1 0 1 30 1 0 1 31 1 0 4 32 1 0 6 33 1 0 10 34 1 0 11 35 1 0 13 36 1 0 14 37 1 0 16 38 1 0 19 39 1 0 19 40 1 0 19 41 1 0 20 42 1 0 24 43 1 0 25 44 1 0 26 45 1 0 28 46 1 0 M END