Molecule FYI-1002131

A

Molecule Summary:

ID: FYI-1002131
Names:
InChIKey: FCEOBCBWDCMLAV-YECYYMRXSA-N
SMILES: C=C(C)[C@@]26O[C@@]8(c1ccccc1)O[C@@H]2[C@@H]5[C@@H]3O[C@]3(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@]5(C[C@H]6OC(=O)/C=C/C=C/c7ccccc7)O8

Received at FYIcenter.com on: 2023-02-03

Molecule ID: FYI-1002131 Edit

Molecule Structure InChIKey: FCEOBCBWDCMLAV-YECYYMRXSA-N

Molecule Structure SMILES String: C=C(C)[C@@]26O[C@@]8(c1ccccc1)O[C@@H]2[C@@H]5[C@@H]3O[C@]3(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@]5(C[C@H]6OC(=O)/C=C/C=C/c7ccccc7)O8

Download SDF Download SVG Structure in 2D SDF:

FYI-1002131
FYIcenter.com

 47 54  0  0  1  0  0  0  0  0999 V2000
    8.0949    7.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9605    8.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8715   11.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6321   10.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9159    9.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2724    9.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4458    8.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6314    9.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5908    8.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9980    7.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6215    6.0059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6724    7.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7815    6.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4440    6.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6669    7.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1105    6.3293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4712    5.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3251    4.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2962    5.1470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1311    6.1254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9110    8.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4450   10.6786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9488   11.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9158   10.3876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6853   12.1717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5612   12.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8991   12.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5116   14.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7861   15.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4481   15.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8357   14.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5950   11.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3083   12.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6052   10.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8005    8.0372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8005    6.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9605    6.0279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6403    6.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6403    4.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4802    4.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4802    2.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3202    2.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3202    0.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1602    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1602    2.6791    0.0000 C   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  1  0  0  0  0
  5  4  1  1  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  6  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15  5  1  0  0  0  0
 15 16  1  1  0  0  0
 16 14  1  0  0  0  0
 14 17  1  6  0  0  0
 18 17  1  0  0  0  0
 13 19  1  6  0  0  0
 12 20  1  6  0  0  0
 21  9  1  0  0  0  0
  6 22  1  6  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
  4 24  1  1  0  0  0
 25 23  1  0  0  0  0
 25  3  1  0  0  0  0
 23 26  1  1  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
  3 32  1  1  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
  2 35  1  1  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 36  1  0  0  0  0
 39 38  2  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 46 45  1  0  0  0  0
 47 46  2  0  0  0  0
 47 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002131-3D
FYIcenter.com

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2023-03-17, 1988👍, 0💬