Molecule FYI-1007066

A

Molecule Summary:

ID: FYI-1007066
Names:
InChIKey: XDFGYABMMJUTOA-FQLSKLMTSA-N
SMILES: CC4=C3C[C@H]2C[C@@]1(C)CC[C@H](O)CC1=CC2CC[C@@H]3CC[C@]46O[C@@H]5C[C@H](C)CN[C@H]5[C@H]6C

Received at FYIcenter.com on: 2024-01-29

Molecule ID: FYI-1007066 Edit

Molecule Structure InChIKey: XDFGYABMMJUTOA-FQLSKLMTSA-N

Molecule Structure SMILES String: CC4=C3C[C@H]2C[C@@]1(C)CC[C@H](O)CC1=CC2CC[C@@H]3CC[C@]46O[C@@H]5C[C@H](C)CN[C@H]5[C@H]6C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007066
FYIcenter.com

 32 37  0  0  1  0  0  0  0  0999 V2000
    2.6566   13.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2240   12.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1608   11.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    9.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    9.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    7.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    8.5365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4510    6.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7420    5.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0736    4.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1139    5.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8228    7.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8633    8.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4220   10.4983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8546   11.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1573    3.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3021    2.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6459    2.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1768    4.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4950    5.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5023    1.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8896    2.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4206    3.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5641    4.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7461    0.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1334    1.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6643    2.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8079    3.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9898    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9515    4.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  6  0  0  0
  4  8  1  1  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  6  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
  6 15  1  6  0  0  0
  5 16  1  6  0  0  0
 17 16  1  0  0  0  0
 17  2  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 12 22  1  0  0  0  0
 11 18  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 20 23  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 25 30  1  0  0  0  0
 24 27  1  0  0  0  0
 28 31  1  6  0  0  0
 25 32  1  6  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-02-11, 578👍, 0💬