Molecule FYI-1016693

A

Molecule Summary:

ID: FYI-1016693
Names:
InChIKey: QNDBMEKATBRWKD-UHFFFAOYSA-N
SMILES: O=c2c(c1ccc(O)c(O)c1)coc3cc(O)cnc23

Received at FYIcenter.com on: 2026-02-22

Molecule ID: FYI-1016693 Edit

Molecule Structure InChIKey: QNDBMEKATBRWKD-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2c(c1ccc(O)c(O)c1)coc3cc(O)cnc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1016693
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   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
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 14  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 15  1  0  0  0  0
 20 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016693-3D
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.9873    0.1481   -0.1201 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2128    0.1444   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9844   -1.1286   -0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3142   -2.4355   -0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0116   -3.0651   -1.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3810   -4.3142   -1.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -4.9207   -0.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4081   -6.1339   -0.0279 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3224   -4.2933    1.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9495   -4.8828    2.3143 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9684   -3.0634    1.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3237   -1.0516   -0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0759    0.0989   -0.0164 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4032    1.2919   -0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1560    2.4650   -0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4908    3.6846   -0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1613    4.8691   -0.0255 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1030    3.6937   -0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3469    2.5731   -0.0538 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0164    1.3905   -0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2505   -2.5758   -2.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1585   -4.7805   -2.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2716   -6.4373   -0.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4481   -5.6771    2.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1745   -2.5977    2.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9767   -1.9168    0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2396    2.4104   -0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1184    4.6992   -0.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5502    4.6293   -0.0487 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 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  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  1  0  0  0  0
  7  9  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 15 16  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  2  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$

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