Molecule FYI-1016384

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Molecule Summary:

ID: FYI-1016384
Names:
InChIKey: XRAMJHXWXCMGJM-UHFFFAOYSA-N
SMILES: COC(=O)CCc1ccc(O)cc1

Received at FYIcenter.com on: 2025-12-15

Molecule ID: FYI-1016384 Edit

Molecule Structure InChIKey: XRAMJHXWXCMGJM-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)CCc1ccc(O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016384
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016384-3D
FYIcenter.com

 25 25  0     0  0  0  0  0  0999 V2000
   -3.7984   -0.1297   -1.0216 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -0.0797   -0.6568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4293    0.1627    1.2368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6321    0.1033    0.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8163    0.0545    0.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5671   -0.0255   -0.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4686   -1.1683    0.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4749    1.2334    0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0218    0.0178    0.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8096   -1.2134    0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8158    1.1883   -0.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4833   -0.0351   -0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2115   -0.1082   -0.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8315    1.0402    1.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8363   -0.6947    1.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3869    0.7940   -1.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3858   -0.9765   -0.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9521   -2.0916    0.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9633    2.1907    0.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3180   -2.1729   -0.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3351    2.1096   -0.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5022   -0.9328   -0.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7122   -0.2348   -1.7587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5118    0.8529   -0.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0919   -1.0047   -0.6429 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  1  0  0  0  0
  2 25  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8 11  2  0  0  0  0
  8 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
$$$$

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2026-01-24, 762👍, 0💬