Molecule FYI-1007153

A

Molecule Summary:

ID: FYI-1007153
Names:
InChIKey: WOOQSKAMMPIQIW-HBKJEHTGSA-N
SMILES: C/C(=C(O)/C(O)C(O)C(O)C(O)/C(O)=C(C)\\c1ccccc1)c2ccccc2

Received at FYIcenter.com on: 2024-02-05

Molecule ID: FYI-1007153 Edit

Molecule Structure InChIKey: WOOQSKAMMPIQIW-HBKJEHTGSA-N

Molecule Structure SMILES String: C/C(=C(O)/C(O)C(O)C(O)C(O)/C(O)=C(C)\c1ccccc1)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007153
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  1  0  0  0  0
 19  6  1  0  0  0  0
 20  5  1  0  0  0  0
 21  4  1  0  0  0  0
 22  3  1  0  0  0  0
 23  2  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007153-3D
FYIcenter.com

 54 55  0  0  1  0  0  0  0  0999 V2000
    5.5772    3.7511   -1.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0592    2.8508   -0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1965    1.5077   -0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9085    0.8086   -1.0637 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6749    0.5548    0.9975 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9816   -0.8059    0.6094 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2670    0.7591    2.4112 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6076   -0.1581    3.3003 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8247    0.6444    2.4548 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5155    1.5624    1.5825 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3808    0.8160    3.8964 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8857   -0.2947    4.6535 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9112    0.8531    3.9978 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6207    0.7125    2.8054 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6147    1.0038    5.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1188    0.9811    5.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9723    1.2205    6.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5945    0.1335    7.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9735    0.3450    8.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7449    1.6442    8.9356 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1302    2.7324    8.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7362    2.5207    6.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3443    3.6304    0.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0023    4.1074    2.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3134    4.8201    3.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9766    5.1426    2.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3237    4.7264    1.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9960    3.9582    0.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2141    3.2394   -1.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1768    4.5658   -0.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7431    4.1862   -1.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4900    1.4131   -1.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5812    0.6057    1.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6067   -0.7262   -0.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9809    1.7390    2.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2589   -0.8339    3.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0971   -0.3628    2.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9861    2.3736    1.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9798    1.7463    4.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6203   -0.9252    4.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0581    1.0551    2.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5772    0.7763    4.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4664    0.1992    5.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5094    1.9453    5.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7712   -0.8831    6.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -0.5047    9.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    1.8105    9.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9565    3.7422    8.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0350    3.3766    6.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0548    3.9211    2.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8245    5.1270    3.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4450    5.7237    3.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2826    4.9988    1.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    3.6345   -0.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  2  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  2  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 50  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
 26 27  2  0  0  0  0
 26 52  1  0  0  0  0
 27 28  1  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
M  END
$$$$

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2024-02-18, 627👍, 0💬