Molecule FYI-1002130

A

Molecule Summary:

ID: FYI-1002130
Names:
InChIKey: MJJWBJFYYRAYKU-UHFFFAOYSA-N
SMILES: CC6=CC7c3c(O)cc(c2cc1ccc(O)cc1o2)cc3OC8(c4ccc(O)cc4O)Oc5cc(O)ccc5C(C6)C78

Received at FYIcenter.com on: 2023-02-03

Molecule ID: FYI-1002130 Edit

Molecule Structure InChIKey: MJJWBJFYYRAYKU-UHFFFAOYSA-N

Molecule Structure SMILES String: CC6=CC7c3c(O)cc(c2cc1ccc(O)cc1o2)cc3OC8(c4ccc(O)cc4O)Oc5cc(O)ccc5C(C6)C78

Download SDF Download SVG Structure in 2D SDF:

FYI-1002130
FYIcenter.com

 42 49  0  0  0  0  0  0  0  0999 V2000
   10.3779   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2276    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2276    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4401    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    5.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    3.5077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    4.2000    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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  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  9  1  0  0  0  0
 16 15  1  0  0  0  0
 16  5  1  0  0  0  0
 17 16  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  4  1  0  0  0  0
 23 18  1  0  0  0  0
 24 22  1  0  0  0  0
 25 20  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 29 25  1  0  0  0  0
 30 28  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 33 27  1  0  0  0  0
 34 31  1  0  0  0  0
 35 16  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 40 35  1  0  0  0  0
 41 38  1  0  0  0  0
 42 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002130-3D
FYIcenter.com

 68 75  0     1  0  0  0  0  0999 V2000
   -2.9461    0.2330    1.6069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7756    0.2426    0.6654 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3813   -1.7142   -3.6407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0540   -1.3036    2.4297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2462    4.0279    3.2157 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0578    0.6473    0.4224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7313   -5.7631    2.3175 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2372    1.9880    2.4311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6771   -0.2347   -0.7849 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8409    1.2681   -1.1356 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7919   -0.9342   -1.8428 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0768   -0.3883    0.6321 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5762    1.3957   -2.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4938    2.0029    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3218   -0.6803   -1.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2228   -0.5616   -3.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0428    0.4609   -3.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9743   -1.8104    1.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4902    1.4476    1.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0876   -0.1091   -0.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6692   -1.0507   -2.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0619    3.2755   -0.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5002    0.7266   -4.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4390    0.1522   -0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0899    2.1222    2.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9668   -2.2027    1.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9006   -2.7401    0.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0197   -0.8056   -2.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4035   -0.1956   -1.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6501    3.9527    0.9086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6699    3.3728    2.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8852   -3.5323    2.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8188   -4.0698    1.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8111   -4.4658    1.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7978    0.0631   -0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9520   -0.1561   -1.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0111    0.3265   -0.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4091    0.8096    0.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4099    0.4081   -0.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1063    1.3753    1.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1386    0.9727    0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4962    1.4466    1.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6947   -0.6484   -0.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8511    1.7306   -1.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9401   -2.0180   -1.7583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4786    2.4250   -2.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6491    1.2019   -2.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9318   -1.2167   -4.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0528    3.7619   -1.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5923    0.6769   -5.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0951    0.0009   -5.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1795    1.7229   -5.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7070    0.6165    0.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0967    1.6729    3.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250   -2.4871   -0.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7553   -1.1090   -2.9681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0874    4.9332    0.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0998   -3.8421    3.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5470   -4.7915    0.6749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3235   -2.3564   -3.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5700   -1.7593    3.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5952    4.8790    2.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0428   -0.6054   -2.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9764   -5.8597    2.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9229    0.0437   -1.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5906    1.7376    2.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2211    1.0388    0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6401    2.2649    3.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 19  1  0  0  0  0
  2 12  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 60  1  0  0  0  0
  4 26  1  0  0  0  0
  4 61  1  0  0  0  0
  5 31  1  0  0  0  0
  5 62  1  0  0  0  0
  6 35  1  0  0  0  0
  6 38  1  0  0  0  0
  7 34  1  0  0  0  0
  7 64  1  0  0  0  0
  8 42  1  0  0  0  0
  8 68  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 43  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 44  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 45  1  0  0  0  0
 12 18  1  0  0  0  0
 13 17  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 19  2  0  0  0  0
 14 22  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  2  0  0  0  0
 16 48  1  0  0  0  0
 17 23  1  0  0  0  0
 18 26  2  0  0  0  0
 18 27  1  0  0  0  0
 19 25  1  0  0  0  0
 20 24  2  0  0  0  0
 21 28  1  0  0  0  0
 22 30  2  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 29  1  0  0  0  0
 24 53  1  0  0  0  0
 25 31  2  0  0  0  0
 25 54  1  0  0  0  0
 26 32  1  0  0  0  0
 27 33  2  0  0  0  0
 27 55  1  0  0  0  0
 28 29  2  0  0  0  0
 28 56  1  0  0  0  0
 29 35  1  0  0  0  0
 30 31  1  0  0  0  0
 30 57  1  0  0  0  0
 32 34  2  0  0  0  0
 32 58  1  0  0  0  0
 33 34  1  0  0  0  0
 33 59  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 63  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 41  2  0  0  0  0
 39 65  1  0  0  0  0
 40 42  2  0  0  0  0
 40 66  1  0  0  0  0
 41 42  1  0  0  0  0
 41 67  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-03-17, 2507👍, 0💬