Molecule FYI-1014860

A

Molecule Summary:

ID: FYI-1014860
Names:
InChIKey: RJBAXROZAXAEEM-UHFFFAOYSA-N
SMILES: COc2cc(O)cc3oc(c1ccc(O)c(O)c1)c(O)c(=O)c23

Received at FYIcenter.com on: 2025-05-31

Molecule ID: FYI-1014860 Edit

Molecule Structure InChIKey: RJBAXROZAXAEEM-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2cc(O)cc3oc(c1ccc(O)c(O)c1)c(O)c(=O)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1014860
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.0622    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4999    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  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 11  1  0  0  0  0
 23  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014860-3D
FYIcenter.com

 35 37  0     0  0  0  0  0  0999 V2000
   -0.0712   -0.9803   -0.1125 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2821    1.4189   -0.1261 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8149    2.5918   -0.3196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9652    2.6252   -0.2440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1942   -3.3233    0.0938 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8985   -0.2454    2.1366 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102   -0.5708   -0.2924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1474    0.2771   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4406   -0.9228   -0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6395    0.2080   -0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3992    1.5411   -0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0988    0.0042   -0.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    1.4302   -0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5441    0.2747   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1272   -2.1351   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2286   -0.9391   -0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5217   -2.1417    0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222   -0.0256    0.9915 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7578   -0.1589   -1.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2034   -0.2184    0.9652 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1390   -0.3516   -1.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8618   -0.3814   -0.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6037    2.0234    1.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5787   -3.0732    0.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3159   -0.9436    0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3165    0.1001    1.9465 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2079   -0.1386   -2.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6460   -0.4781   -2.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1865    3.3338   -0.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0001    3.0238    0.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7214    2.1138    1.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3731    1.4354    1.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1498   -3.1421    0.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7366   -0.7183    2.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6122   -0.2294    0.5226 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  2 23  1  0  0  0  0
  3 13  1  0  0  0  0
  3 29  1  0  0  0  0
  4 11  2  0  0  0  0
  5 17  1  0  0  0  0
  5 33  1  0  0  0  0
  6 20  1  0  0  0  0
  6 34  1  0  0  0  0
  7 22  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 13  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 18 20  1  0  0  0  0
 18 26  1  0  0  0  0
 19 21  2  0  0  0  0
 19 27  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 28  1  0  0  0  0
 23 30  1  0  0  0  0
 23 31  1  0  0  0  0
 23 32  1  0  0  0  0
M  END
$$$$

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