HMDB0002023 RDKit 3D Ethyladipic acid 26 25 0 0 0 0 0 0 0 0999 V2000 -2.4570 -0.5525 1.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3413 0.3142 0.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9007 -0.1154 -0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2044 0.7450 -1.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4393 0.7164 -0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0627 -0.6324 -0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2679 -0.4757 0.8028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9895 -1.4792 1.0834 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6495 0.7491 1.3366 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0895 0.0536 -1.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0076 0.8410 -2.3965 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2842 -0.6157 -1.2115 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4498 -0.5628 2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4676 -0.1349 1.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4046 -1.5698 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6723 1.3643 0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 0.2189 1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5939 -1.1802 -0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 0.5791 -2.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1674 1.8124 -1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 1.1330 0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1857 1.3844 -0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4131 -1.3717 0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4376 -1.0242 -1.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4623 1.2265 1.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5693 -1.4234 -1.7518 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 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 3 10 1 0 10 11 2 0 10 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 9 25 1 0 12 26 1 0 M END