Molecule FYI-1003089

A

Molecule Summary:

ID: FYI-1003089
Names:
InChIKey: RQFBCWWVSSZQDF-UHFFFAOYSA-N
SMILES: Cc4ccc3c(COc2ccc1OCOc1c2)cc(=O)oc3c4

Received at FYIcenter.com on: 2023-05-10

Molecule ID: FYI-1003089 Edit

Molecule Structure InChIKey: RQFBCWWVSSZQDF-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4ccc3c(COc2ccc1OCOc1c2)cc(=O)oc3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003089
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
   11.9524    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5275    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3151    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3151    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5275    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    4.3157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    0.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3151    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3151    7.8157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5275    5.7157    0.0000 O   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  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  1  0  0  0  0
 17 16  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  2  0  0  0  0
 19 11  1  0  0  0  0
 20  8  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 23  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003089-3D
FYIcenter.com

 37 40  0  0  0  0  0  0  0  0999 V2000
    3.7569   -1.3841    0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5183   -0.5371    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5873    0.8609    0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4188    1.6436    0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1522    1.0483    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1194    1.7936    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1710    3.3028    0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1205    3.8160   -1.2416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2818    5.1657   -1.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3484    5.5696   -2.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828    6.9174   -3.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    7.8356   -2.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847    9.1809   -2.2422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    9.5981   -0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5892    8.5118    0.0727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5007    7.4503   -0.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3630    6.1247   -0.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2614    1.0838    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3161   -0.3831   -0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3949   -0.9662   -0.0443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1106   -1.0537   -0.0203 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1077   -0.3498   -0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2616   -1.1420   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6640   -0.7726   -0.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7657   -2.0544   -0.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7971   -1.9833    0.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5558    1.3581    0.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5363    2.7239   -0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3469    3.7006    0.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1102    3.6118    0.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2940    4.8179   -3.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5284    7.2272   -4.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7380   10.0595   -0.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9814   10.3497   -0.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3194    5.8804    0.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2323    1.5661    0.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1688   -2.2254   -0.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  2  0  0  0  0
  3  4  2  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  1  0  0  0  0
  6 18  2  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  2  0  0  0  0
 10 11  2  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-19, 1714👍, 0💬