Molecule FYI-1010699

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A

Molecule Summary:

ID: FYI-1010699
Names:
InChIKey: HZXMIVDAWKVPKJ-UHFFFAOYSA-N
SMILES: CC1(C(=O)O)OC1c3ccc2OCOc2c3

Received at FYIcenter.com on: 2024-07-03

Molecule ID: FYI-1010699 Edit

Molecule Structure InChIKey: HZXMIVDAWKVPKJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1(C(=O)O)OC1c3ccc2OCOc2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1010699
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    3.3669    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3669    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2793    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1394    1.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    5.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12  2  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15  3  1  0  0  0  0
 16 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010699-3D
FYIcenter.com

 26 28  0  0  1  0  0  0  0  0999 V2000
    1.0863   -1.4507    0.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4746   -0.8943    0.3797 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3703   -0.9337    1.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7229   -1.9812    2.0778 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7413    0.2916    2.0032 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5074    0.3270   -0.3849 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1685   -0.8037   -0.9823 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5585   -1.5094   -2.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8076   -2.8954   -2.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2343   -3.6223   -3.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4026   -2.9460   -4.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7283   -3.4922   -5.3014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0283   -2.3527   -5.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3074   -1.1301   -5.0653 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1622   -1.6001   -4.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7325   -0.8575   -3.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6767   -1.2207    1.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0968   -2.5385    0.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3979   -1.0290   -0.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3606    0.9851    1.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2554   -0.7605   -0.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4549   -3.4164   -1.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -4.6823   -3.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0944   -2.5585   -5.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1539   -2.2157   -6.8292 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5215    0.2037   -3.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  2  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
$$$$

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2024-07-25, 2193👍, 0💬