Molecule FYI-1006686

A

Molecule Summary:

ID: FYI-1006686
Names:
InChIKey: ZZMZBNQPFOJODP-UHFFFAOYSA-N
SMILES: CC4(C)C=CC3C=C(O)C2C(=O)C1C=CC=C(O)C1OC2C3O4

Received at FYIcenter.com on: 2024-01-11

Molecule ID: FYI-1006686 Edit

Molecule Structure InChIKey: ZZMZBNQPFOJODP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC4(C)C=CC3C=C(O)C2C(=O)C1C=CC=C(O)C1OC2C3O4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006686
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
    6.0622    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    0.0000    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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 21  2  1  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006686-3D
FYIcenter.com

 43 46  0  0  1  0  0  0  0  0999 V2000
    5.0990    6.1891   -9.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2177    6.2191   -8.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4382    7.6835   -7.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5244    5.7129   -8.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4545    5.1626   -7.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1258    4.8714   -6.3962 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5621    5.9525   -5.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9218    6.1292   -4.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6088    5.6923   -3.0769 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4554    5.7376   -4.1457 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7533    5.8826   -2.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5057    7.0104   -2.3521 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3135    4.6415   -2.0393 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0143    4.6704   -0.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9872    3.8115   -0.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4531    2.8368   -1.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7901    2.5790   -2.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2950    1.6861   -3.3971 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4936    3.3258   -2.8349 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3185    3.5715   -4.2590 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3998    4.3482   -4.7478 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6208    4.4889   -6.2792 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7507    5.4765   -6.8709 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3433    6.8089   -9.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1623    6.5654   -8.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9012    5.1707   -9.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1694    8.3902   -8.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4893    7.8916   -7.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8607    7.9280   -6.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7378    5.9059   -9.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4249    4.8868   -8.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7105    3.9778   -6.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9103    6.8806   -5.8464 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4390    5.2639   -3.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8972    6.4519   -4.7663 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2382    4.7664   -1.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7155    5.4463    0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    3.8585    0.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3829    2.3402   -1.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2041    1.4513   -3.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6673    2.6546   -2.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2844    3.7849   -4.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4160    3.5339   -6.7768 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 23  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  2  3  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  2  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-24, 162👍, 0💬