Molecule FYI-1002200

A

Molecule Summary:

ID: FYI-1002200
Names:
InChIKey: YUFRMYCKBZEYKU-JSKKQJDMSA-N
SMILES: COc6cccc(C5C1CCCCC1(O)C3(C(=O)c2ccccc2C3=O)C(c4ccccc4)C5N(=O)=O)c6

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002200 Edit

Molecule Structure InChIKey: YUFRMYCKBZEYKU-JSKKQJDMSA-N

Molecule Structure SMILES String: COc6cccc(C5C1CCCCC1(O)C3(C(=O)c2ccccc2C3=O)C(c4ccccc4)C5N(=O)=O)c6

Download SDF Download SVG Structure in 2D SDF:

FYI-1002200
FYIcenter.com

 39 44  0  0  0  0  0  0  0  0999 V2000
    6.7406    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    3.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3768    6.7464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7482    3.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4596    3.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6513    2.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7918    1.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  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  1  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 10 16  1  0  0  0  0
  9 13  1  0  0  0  0
 11 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 26  1  0  0  0  0
  8 23  1  0  0  0  0
 12 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
 23 30  2  0  0  0  0
 26 31  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 25 35  2  0  0  0  0
 24 32  2  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  1  0  0  0
 21 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002200-3D
FYIcenter.com

 67 72  0  0  1  0  0  0  0  0999 V2000
    0.3880    1.7787    1.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5729    2.5139    1.4944 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6395    2.2499    0.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5150    1.8406   -0.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    1.5172   -1.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9144    1.6504   -0.8003 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0886    2.1646    0.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5239    2.4285    0.9741 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9846    3.9104    1.1624 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2469    4.8499    0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6545    6.3118    0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8184    6.8470    1.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6060    5.8794    2.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9460    4.4665    2.6227 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5284    4.6308    2.8360 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3238    3.5359    3.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6186    3.0310    4.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6783    2.7185    4.1425 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1229    2.7273    6.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1515    1.5547    6.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1496    1.3658    7.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1637    2.3364    8.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    3.4989    7.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0901    3.6039    6.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8276    4.3522    5.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4246    5.4986    5.2155 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7222    2.0426    3.5805 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3771    1.6725    4.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4082    2.6144    4.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2348    2.2590    5.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0046    0.9340    5.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629   -0.0190    5.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3443    4.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1027    1.6195    2.1301 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1346    0.1206    1.8766 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8293   -0.2974    0.7532 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6223   -0.5893    2.7673 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9198    2.4484    1.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3298    1.9168    1.9985 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5923    0.7041    1.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0821    2.1583    0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5489    1.7744   -1.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5571    1.1579   -2.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7751    1.3553   -1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1266    2.1267    0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0477    3.9216    0.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1595    4.8044    0.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3992    4.4903   -0.8667 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9137    6.9230   -0.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125    6.4437   -0.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8277    7.0505    2.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3087    7.8235    1.6265 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6890    6.3565    3.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6325    5.7961    2.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1261    5.2963    2.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8079    0.7259    6.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0722    0.4141    8.3349 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3511    2.1398    8.7688 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3202    4.2087    7.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3562    1.3457    4.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5182    3.6753    4.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5119    3.0295    5.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0888    0.6532    6.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8107   -1.0562    5.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8717   -0.4365    4.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1899    1.8105    2.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9624    2.8569    2.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  2  0  0  0  0
  4  5  2  0  0  0  0
  4 42  1  0  0  0  0
  5  6  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  2  0  0  0  0
  6 44  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 46  1  0  0  0  0
 10 11  1  0  0  0  0
 10 47  1  0  0  0  0
 10 48  1  0  0  0  0
 11 12  1  0  0  0  0
 11 49  1  0  0  0  0
 11 50  1  0  0  0  0
 12 13  1  0  0  0  0
 12 51  1  0  0  0  0
 12 52  1  0  0  0  0
 13 14  1  0  0  0  0
 13 53  1  0  0  0  0
 13 54  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 55  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 56  1  0  0  0  0
 21 22  1  0  0  0  0
 21 57  1  0  0  0  0
 22 23  2  0  0  0  0
 22 58  1  0  0  0  0
 23 24  1  0  0  0  0
 23 59  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 27 34  1  0  0  0  0
 27 60  1  0  0  0  0
 28 29  1  0  0  0  0
 28 33  2  0  0  0  0
 29 30  2  0  0  0  0
 29 61  1  0  0  0  0
 30 31  1  0  0  0  0
 30 62  1  0  0  0  0
 31 32  2  0  0  0  0
 31 63  1  0  0  0  0
 32 33  1  0  0  0  0
 32 64  1  0  0  0  0
 33 65  1  0  0  0  0
 34 35  1  0  0  0  0
 34 66  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  2  0  0  0  0
 38 67  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-28, 2247👍, 0💬