HMDB0302546 RDKit 3D 2-trans-O-Feruloylglucaric acid 45 45 0 0 0 0 0 0 0 0999 V2000 6.1162 -1.8945 -3.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2408 -0.7287 -2.4213 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2502 -0.1707 -1.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9972 -0.7181 -1.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9968 -0.1509 -0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -0.7725 -0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6877 -0.3378 0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5973 -1.0714 0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -2.1266 -0.5217 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6732 -0.6335 0.8872 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8957 -1.3327 0.9087 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1533 -1.7990 2.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1866 -2.4523 2.5751 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2372 -1.5079 3.2809 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0798 -0.5333 0.4328 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1994 -1.3966 0.5116 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4067 0.6669 1.2432 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5767 1.2318 0.6755 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3583 1.7344 1.2909 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8804 2.7762 2.1054 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1172 2.3223 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3729 3.5358 -0.3175 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5949 1.5600 -1.0802 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2635 1.0067 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 1.5878 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4938 0.9936 -0.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7584 1.5699 -1.0591 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3859 -2.6056 -2.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1444 -2.3561 -3.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8315 -1.7141 -4.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 -1.6134 -2.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5413 -1.7046 -1.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8152 0.5681 0.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 -2.2350 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7807 -2.1892 3.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9575 -0.2639 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9560 -1.0117 0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7225 0.3331 2.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1821 1.5758 1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3821 1.3998 1.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9341 2.4699 3.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9984 1.5452 -2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5393 1.5113 0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7507 2.5131 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9887 2.4185 -0.5727 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 2 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 12 14 1 0 11 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 2 0 21 23 1 0 5 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 3 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 6 32 1 0 7 33 1 0 11 34 1 6 14 35 1 0 15 36 1 6 16 37 1 0 17 38 1 1 18 39 1 0 19 40 1 1 20 41 1 0 23 42 1 0 24 43 1 0 25 44 1 0 27 45 1 0 M END