Molecule FYI-1005199

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Molecule Summary:

ID: FYI-1005199
Names:
InChIKey: PUTNEPAYGVAWEJ-SRHKJQAYSA-N
SMILES: c2cc1OCOc1cc2[C@H]4OCC3COCC34

Received at FYIcenter.com on: 2023-10-17

Molecule ID: FYI-1005199 Edit

Molecule Structure InChIKey: PUTNEPAYGVAWEJ-SRHKJQAYSA-N

Molecule Structure SMILES String: c2cc1OCOc1cc2[C@H]4OCC3COCC34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005199
FYIcenter.com

 17 20  0  0  0  0  0  0  0  0999 V2000
    2.2542    3.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5366    4.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6642    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9466    3.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1013    5.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9737    6.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6913    5.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2221    3.2972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1651    4.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4725    5.5485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0460    4.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5617    2.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9549    2.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2624    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4706    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5166    0.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  4  8  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 14  1  0  0  0  0
  1 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 17  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005199-3D
FYIcenter.com

 31 34  0     1  0  0  0  0  0999 V2000
    1.9000    0.5990    1.6368 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7817   -1.5435   -1.2796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6437   -1.6055    0.7615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0034    0.0526   -0.3383 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4336    0.6476   -0.7105 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3478   -0.2973    0.0350 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4562    1.1461    0.3769 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2495    0.1572    1.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9071   -0.2296   -1.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7360   -1.6729   -0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158    0.8854    0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5777   -0.3136    0.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8090    1.8528   -0.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270   -0.5067    0.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1734    1.6323   -0.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7035    0.4401   -0.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9584   -1.2442    0.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9707    1.5101   -1.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3802   -0.2758   -0.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5930    2.2310    0.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4743   -0.6296    2.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9103    1.0102    1.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    0.0960   -2.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6341   -0.2842   -2.6463 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5032   -2.3890   -0.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2278   -2.0926    0.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0095   -1.0764    1.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3664    2.7832   -0.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7883    2.3753   -1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6483   -1.2451    1.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2913   -1.9972   -0.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 14  1  0  0  0  0
  3 17  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7 11  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 13 15  2  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
$$$$

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2023-10-27, 1160👍, 0💬