Molecule FYI-1001027

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A

Molecule Summary:

ID: FYI-1001027
SMILES: CC(Cc1ccc(c(c1)O)O)(N)C(O)O

Received at FYIcenter.com on: 2021-10-25

Molecule ID: FYI-1001027 Edit

Molecule Structure SMILES String: CC(Cc1ccc(c(c1)O)O)(N)C(O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001027
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.7249    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.8876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001027-3D
FYIcenter.com

 30 30  0  0  1  0  0  0  0  0999 V2000
    1.0349    0.1228    0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365    0.0093   -0.0638 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8479   -1.1141   -1.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4075   -2.5244   -0.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2748   -3.4135   -0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8760   -4.7217    0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6056   -5.1405   -0.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7452   -4.2705   -0.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1307   -2.9717   -1.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4996   -4.6957   -1.2402 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1545   -6.4067    0.0502 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9400    1.3029   -0.6981 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3529   -0.1306    1.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9354   -1.1490    2.1546 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7300   -0.3200    0.9637 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4490    0.2184   -0.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8230    1.0027    0.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6585   -0.7489    0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9232   -1.1353   -1.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3827   -0.8460   -2.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2737   -3.0850    0.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5647   -5.3846    0.6795 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4415   -2.3194   -1.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5396   -5.6257   -0.9394 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8616   -6.8876    0.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4506    1.4196   -1.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9361    1.2424   -0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2617    0.8036    1.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -1.8189    1.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1958    0.3888    1.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-03-29, 2087👍, 0💬