Molecule FYI-1000445

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A

Molecule Summary:

ID: FYI-1000445
SMILES: C1C(C(C(O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5

Received at FYIcenter.com on: 2021-06-30

Molecule ID: FYI-1000445 Edit

Molecule Structure SMILES String: C1C(C(C(O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5

Download SDF Download SVG Structure in 2D SDF:

FYI-1000445
FYIcenter.com

 26 30  0  0  0  0  0  0  0  0999 V2000
    7.1691    8.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    7.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0365    6.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4059    6.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1059    7.2453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9754    4.7538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    5.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2871    4.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6186    3.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9097    2.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8694    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5378    1.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2468    3.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4387    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8310    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1221    1.5156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    8.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    7.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    6.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    5.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    6.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    7.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    8.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    4.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.2469    0.0000 O   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
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  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 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 10  1  0  0  0  0
 17  2  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 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000445-3D
FYIcenter.com

 46 50  0  0  1  0  0  0  0  0999 V2000
   -0.9584   -0.7220   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5239   -1.0930   -0.1990 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2495    0.2539   -0.0225 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1568    1.2842   -0.2674 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0421    0.6809    0.2027 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0115    1.6468   -1.6247 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5423    0.5121   -0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6605   -0.4806   -0.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8370   -1.1074    0.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8028   -2.0838    0.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6182   -2.4202   -0.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5266   -1.7836   -1.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5396   -0.8022   -1.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4788   -3.4245    0.0554 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0921   -3.6940    1.4195 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0429   -2.8308    1.9008 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083   -1.9003   -1.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0234   -3.1941   -1.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8946   -3.4026   -2.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6189   -4.5764   -2.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4552   -5.5337   -1.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5494   -5.3766   -0.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2009   -4.1969   -0.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2738   -6.6037   -1.8046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9746   -6.2069   -3.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5569   -4.9248   -3.5145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4454   -1.2719    0.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5233   -0.9061   -0.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7937   -1.7237    0.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    0.3310    1.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3372    2.1996    0.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2239    0.8428   -2.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9231    1.5111   -0.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3139    0.5248   -1.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2224   -0.8765    1.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1846   -2.0489   -2.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4392   -0.3034   -2.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9703   -3.5668    2.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7505   -4.7329    1.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8650   -2.1757   -1.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5969   -1.2864   -2.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0505   -2.6670   -3.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4263   -6.1410    0.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9266   -4.0582    0.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0477   -6.1622   -2.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8053   -6.9653   -3.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  2  0  0  0  0
 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END
$$$$

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2022-11-16, 1646👍, 0💬