Molecule FYI-1005744

Home > Molecule

A

Molecule Summary:

ID: FYI-1005744
Names:
InChIKey: YZFJTFVPCWEPND-QPJJXVBHSA-N
SMILES: CC=C(C)C(=O)OC1CC2C(C(C(C1)N2C)O)O

Received at FYIcenter.com on: 2023-11-11

Molecule ID: FYI-1005744 Edit

Molecule Structure InChIKey: YZFJTFVPCWEPND-QPJJXVBHSA-N

Molecule Structure SMILES String: CC=C(C)C(=O)OC1CC2C(C(C(C1)N2C)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005744
FYIcenter.com

 39 40  0     1  0  0  0  0  0999 V2000
    9.1154   -1.1028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7402    1.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2267   -0.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8191   -2.0040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7386    2.2206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2164    0.2720    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4752    1.2380    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6154   -0.2368    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8742    0.7292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9954   -0.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4420    0.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1664   -0.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2386    3.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0530   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1133   -1.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3473   -1.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9397   -2.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2992   -0.3424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8446    1.7359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2169   -0.7118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3661    0.3517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5896   -1.0623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4121   -1.0528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4370    1.5468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8277    1.0106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0908   -0.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7756    3.3966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9286    3.6235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7017    2.7766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8054   -1.6397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2772    0.9192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7458   -0.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724   -0.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9488   -1.5354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4146   -3.0866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.4475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -3.2422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120   -3.6127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 31  1  0  0  0  0
  2  9  1  0  0  0  0
  2 32  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005744-3D
FYIcenter.com

 39 40  0     1  0  0  0  0  0999 V2000
    3.8189   -1.5490    1.0371 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5908    1.4887    1.7894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3591    0.6857   -0.1192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9743   -1.1511    1.1253 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3612   -0.1191   -1.4208 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9322   -1.1447   -0.4458 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3549    1.1192   -0.6195 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6381   -0.7711    0.8703 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0288    0.7018    0.6956 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4048   -0.9698   -0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8734    1.5271   -0.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0117    0.4329    0.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6570   -0.4079   -2.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2549   -0.1883    0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6434    0.2019    0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9430    1.6576   -0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5282   -0.8061   -0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9690   -0.7080   -0.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1622   -2.1611   -0.7851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8950    1.9404   -1.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0061   -0.9609    1.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1163    0.8188    0.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0715   -1.1761   -1.2924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0505   -1.7485    0.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7809    2.4533    0.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4686    1.7686   -1.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1285    0.4862    1.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9227    0.3832   -2.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6027   -1.3388   -2.6019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4761   -0.5034   -1.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2531   -1.2467    1.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8151    1.0795    2.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0094    1.8855   -0.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4439    2.2607    0.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5885    1.9859   -1.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1973   -1.8265    0.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1736   -1.4065   -1.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2617    0.2870   -0.8064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6028   -0.9829    0.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 31  1  0  0  0  0
  2  9  1  0  0  0  0
  2 32  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 2275👍, 0💬