Molecule FYI-1008225

A

Molecule Summary:

ID: FYI-1008225
Names:
InChIKey: PCYYBYDVDHNAGM-VMPITWQZSA-N
SMILES: C=c2c(=C=C(O)CCCCC)cc1cc(/C=C/C)occ1c2=O

Received at FYIcenter.com on: 2024-04-24

Molecule ID: FYI-1008225 Edit

Molecule Structure InChIKey: PCYYBYDVDHNAGM-VMPITWQZSA-N

Molecule Structure SMILES String: C=c2c(=C=C(O)CCCCC)cc1cc(/C=C/C)occ1c2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1008225
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  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  6  2  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  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
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 19  9  1  0  0  0  0
 20 19  2  0  0  0  0
 21 13  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008225-3D
FYIcenter.com

 45 46  0  0  0  0  0  0  0  0999 V2000
    0.8851   -0.0932    0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2279   -0.0309   -0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0177    1.2040   -0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4218    2.3652    0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7597    3.4773    0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9576    4.4565   -0.7694 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6784    3.7326    1.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    3.6719    2.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1025    3.9182    3.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6516    3.8580    5.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4406    4.1050    6.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4759    1.1743    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1560    0.0132    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6111   -0.0138    0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2302   -1.2044    0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6548   -1.3253    0.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2903   -2.4840    0.7539 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7455   -2.6005    1.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5339   -2.4152    0.2177 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1599   -2.3868    0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4425   -1.2570   -0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9583   -1.3449   -0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3753   -2.4254   -0.1601 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2222    4.7135    1.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0045    4.4196    2.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6626    2.6898    2.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4414    4.6078    5.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1043    2.8766    5.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9982    2.1268    0.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1619    0.9204    0.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2223   -0.3973    0.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7376   -3.4216    0.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2488   -1.6292    1.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2336   -3.2378    0.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8766   -3.0597    2.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7509   -3.3870    0.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  2  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
$$$$

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