HMDB0013312 RDKit 3D trans-3-Octenedioic acid 24 23 0 0 0 0 0 0 0 0999 V2000 2.6021 0.8042 1.6386 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5412 1.0249 0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2958 2.2898 -0.0475 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7396 -0.1006 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5999 -1.0051 -0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4909 -0.7789 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6661 -1.6927 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9167 -1.0513 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4823 -0.0015 0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6612 1.1689 0.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3108 1.4817 1.9087 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2116 2.0152 -0.2913 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 2.5420 -0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1051 0.2977 -1.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6073 -0.6934 -0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5983 -1.8614 -1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5564 0.0902 0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 -2.4877 -0.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8376 -2.2382 0.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7549 -1.8083 -0.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7747 -0.5535 -1.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7613 -0.5036 1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 0.3577 0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8481 2.7039 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 3 13 1 0 4 14 1 0 4 15 1 0 5 16 1 0 6 17 1 0 7 18 1 0 7 19 1 0 8 20 1 0 8 21 1 0 9 22 1 0 9 23 1 0 12 24 1 0 M END