59253450 -OEChem-03282406462D 33 33 0 1 0 0 0 0 0999 V2000 2.8660 -3.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3562 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3900 3.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 2.6438 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 4.3520 1.6438 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 3.1120 1.6438 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 4.1662 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 2.8074 3.3715 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 3.9726 3.7956 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 5.3520 2.6438 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 4.9441 2.0612 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 4.7320 3.2638 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.4538 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.1662 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1662 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.1662 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 4.2881 -3.3931 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.3192 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.1662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 33 1 0 0 0 0 2 15 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 11 13 2 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 M ISO 8 16 2 17 2 18 2 20 2 21 2 22 2 23 2 24 2 M ISO 7 25 2 26 2 28 2 29 2 30 2 31 2 32 2 M END > 59253450 > 1 > 203 > 2 > 1 > 4 > AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADQCAmAAyCIAAAgCIAiDSCAACAAAgAAAIiAEAAIgIIDKAFRCAYAAkwAEIiAeIyOCOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 3,3,3-trideuterio-2-[2,3,6-trideuterio-4-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]phenyl]propanoic acid > 3,3,3-trideuterio-2-[2,3,6-trideuterio-4-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]phenyl]propanoic acid > 3,3,3-trideuterio-2-[2,3,6-trideuterio-4-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]phenyl]propanoic acid > 3,3,3-trideuterio-2-[2,3,6-trideuterio-4-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]phenyl]propanoic acid > 3,3,3-trideuterio-2-[2,3,6-trideuterio-4-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]phenyl]propanoic acid > 3,3,3-trideuterio-2-[2,3,6-trideuterio-4-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]phenyl]propionic acid > InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i1D3,2D3,3D3,4D,6D,7D,8D2,9D > HEFNNWSXXWATRW-BLAQTNFBSA-N > 3.5 > 221.224831002 > C13H18O2 > 221.37 > CC(C)CC1=CC=C(C=C1)C(C)C(=O)O > [2H]C1=C(C(=C(C(=C1)C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H])[2H])C(C(=O)O)C([2H])([2H])[2H] > 37.3 > 221.224831002 > 0 > 15 > 0 > 1 > 0 > 0 > 15 > 1 > -1 > 1 5 255 > 10 12 8 11 13 8 5 10 8 5 11 8 6 12 8 6 13 8 7 14 3 $$$$