Molecule FYI-1002202

A

Molecule Summary:

ID: FYI-1002202
Names:
InChIKey: FYXKMVWBJZYXCE-FLGRVFGASA-N
SMILES: O=C2c1ccccc1C(=O)C27C(c3ccccc3)C(N(=O)=O)C(c5ccc(OCc4ccccc4)cc5)C6CCCCC67O

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

Molecule ID: FYI-1002202 Edit

Molecule Structure InChIKey: FYXKMVWBJZYXCE-FLGRVFGASA-N

Molecule Structure SMILES String: O=C2c1ccccc1C(=O)C27C(c3ccccc3)C(N(=O)=O)C(c5ccc(OCc4ccccc4)cc5)C6CCCCC67O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002202
FYIcenter.com

 45 51  0  0  0  0  0  0  0  0999 V2000
    6.7406   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282   10.5000    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
    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
    3.1033    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    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
    5.5282    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    9.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   10.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    8.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    7.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3768   10.9464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7482    7.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   11.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   11.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    8.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4596    7.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8027    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8027    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0151    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2276    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2276    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    2.8000    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
 20 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 40 45  1  0  0  0  0
 40 41  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002202-3D
FYIcenter.com

 77 83  0  0  1  0  0  0  0  0999 V2000
    1.1314    0.4318    0.5004 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3168    0.2064    0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2448    1.2534    0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9498    2.5849   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9722    3.4673   -0.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2191    2.9481   -0.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5019    1.5578   -0.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5025    0.7138   -0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4499   -0.7388    0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3920   -1.4963   -0.1226 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0376   -1.1223    0.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2568   -2.0890   -0.5379 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2075   -1.7282   -2.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6669   -2.6626   -3.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8182   -2.3111   -4.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4707   -1.0356   -4.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9025   -0.1456   -3.8754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7549   -0.4984   -2.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0332   -2.8723    0.0209 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3241   -2.1396   -0.0706 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5596   -1.4609   -1.0745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1616   -2.3812    0.8022 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2868   -3.2887    1.4972 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2857   -4.4430    1.5901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5669   -4.4061    1.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4579   -5.4549    1.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1184   -6.5856    1.8008 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9950   -7.6137    1.9913 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3725   -7.2202    1.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2113   -8.2302    2.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2670   -8.8884    1.9544 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0219   -9.8239    2.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7293  -10.1021    3.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6950   -9.4248    4.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9430   -8.4893    3.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8513   -6.6754    2.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9391   -5.6126    2.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5741   -2.0166    2.3583 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0674   -2.1047    3.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9632   -2.4714    4.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4479   -2.3721    4.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9312   -2.2255    3.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9712   -1.4207    2.1777 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0311   -0.1070    2.8046 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9596    2.9588    0.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7672    4.5395   -0.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0073    3.6387   -1.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4811    1.1835   -0.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9794   -2.8867   -0.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9435   -3.6772   -2.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2253   -3.0258   -5.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6209   -0.7401   -5.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5701    0.8340   -4.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    0.2160   -1.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379   -3.7662   -0.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3481   -3.7159    1.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0284   -3.5186    0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4274   -5.3096    0.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5610   -6.2488    2.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -7.1632    0.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5051   -8.6807    0.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8422  -10.3394    2.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3118  -10.8412    4.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708   -9.6264    5.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -7.9602    4.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5735   -7.5629    2.9405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9660   -5.7038    2.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8820   -1.2587    1.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6865   -1.1045    4.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2373   -2.8107    3.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6886   -3.4730    5.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6949   -1.8255    5.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8932   -3.2796    5.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8431   -1.5477    5.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1419   -3.2401    2.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9168   -1.7486    3.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9219    0.0393    3.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 45  1  0  0  0  0
  5  6  1  0  0  0  0
  5 46  1  0  0  0  0
  6  7  2  0  0  0  0
  6 47  1  0  0  0  0
  7  8  1  0  0  0  0
  7 48  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 49  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
 15 51  1  0  0  0  0
 16 17  2  0  0  0  0
 16 52  1  0  0  0  0
 17 18  1  0  0  0  0
 17 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 19 55  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 23 56  1  0  0  0  0
 24 25  1  0  0  0  0
 24 37  2  0  0  0  0
 25 26  2  0  0  0  0
 25 57  1  0  0  0  0
 26 27  1  0  0  0  0
 26 58  1  0  0  0  0
 27 28  1  0  0  0  0
 27 36  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 30 31  1  0  0  0  0
 30 35  2  0  0  0  0
 31 32  2  0  0  0  0
 31 61  1  0  0  0  0
 32 33  1  0  0  0  0
 32 62  1  0  0  0  0
 33 34  2  0  0  0  0
 33 63  1  0  0  0  0
 34 35  1  0  0  0  0
 34 64  1  0  0  0  0
 35 65  1  0  0  0  0
 36 37  1  0  0  0  0
 36 66  1  0  0  0  0
 37 67  1  0  0  0  0
 38 39  1  0  0  0  0
 38 43  1  0  0  0  0
 38 68  1  0  0  0  0
 39 40  1  0  0  0  0
 39 69  1  0  0  0  0
 39 70  1  0  0  0  0
 40 41  1  0  0  0  0
 40 71  1  0  0  0  0
 40 72  1  0  0  0  0
 41 42  1  0  0  0  0
 41 73  1  0  0  0  0
 41 74  1  0  0  0  0
 42 43  1  0  0  0  0
 42 75  1  0  0  0  0
 42 76  1  0  0  0  0
 43 44  1  0  0  0  0
 44 77  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-28, 2783👍, 0💬