Molecule FYI-1011964

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A

Molecule Summary:

ID: FYI-1011964
Names:
InChIKey: KZOPXYPPFZYEHT-UHFFFAOYSA-N
SMILES: CC1OC(=O)C=CC1OC2OC(CO)C(O)C(O)C2O

Received at FYIcenter.com on: 2024-08-14

Molecule ID: FYI-1011964 Edit

Molecule Structure InChIKey: KZOPXYPPFZYEHT-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1OC(=O)C=CC1OC2OC(CO)C(O)C(O)C2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1011964
FYIcenter.com

 38 39  0  0  0  0  0  0  0  0999 V2000
    4.8189    6.0735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6141    3.9869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2047    8.1601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6141    9.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2047    5.3780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0236    1.2047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0236    9.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4330    1.2047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094    7.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6141    8.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094    6.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8189    7.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6141    5.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8189    3.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0236    8.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8189    1.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0236    3.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6141    1.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2283    3.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2283    1.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2047    6.7691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8189    8.8557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094    4.3347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0236    6.7691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094    4.6824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6141    2.5958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4146    8.1602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7191    6.9554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8189    0.5092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2047    9.5512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8189   10.2468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0236    5.3780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9186    2.4094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094    0.5092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3097    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2283   10.2468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4330    3.9869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  9  1  0  0  0  0
  3 30  1  0  0  0  0
  4 10  1  0  0  0  0
  4 31  1  0  0  0  0
  5 11  1  0  0  0  0
  5 32  1  0  0  0  0
  6 16  1  0  0  0  0
  6 20  1  0  0  0  0
  7 15  1  0  0  0  0
  7 37  1  0  0  0  0
  8 20  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 15  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  2  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011964-3D
FYIcenter.com

 38 39  0  0  1  0  0  0  0  0999 V2000
    0.1529   -3.9604   -1.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0697   -2.4701   -2.1363 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5357   -2.3218   -3.5031 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3430   -2.3784   -4.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0061   -2.5969   -5.6872 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7512   -2.0815   -4.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1203   -1.6745   -2.9681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1397   -1.5463   -1.8322 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8400   -1.8326   -0.6126 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0259   -1.8295    0.5760 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6589   -0.5170    0.9941 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6825    0.2238    1.6789 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0544    1.5415    2.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0949    1.2858    2.9777 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2896   -0.5679    2.8521 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3287   -0.9070    3.8698 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8600   -1.8846    2.3274 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4310   -2.6145    3.4228 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7246   -2.6779    1.6698 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1992   -3.9151    1.1171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7756   -4.5142   -2.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4481   -4.1500   -0.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9124   -4.3945   -2.5107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -2.1414   -1.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524   -2.1646   -5.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1583   -1.4058   -2.7889 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8140   -0.5002   -1.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0877   -2.3453    0.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4731    0.4641    0.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7424    2.1583    1.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7682    2.1149    2.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8682    1.3583    2.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0757    0.0152    3.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5365   -0.3423    3.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6712   -1.7080    1.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7842   -2.5429    4.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9895   -2.9472    2.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7688   -3.6809    0.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-10-14, 910👍, 0💬