Molecule FYI-1010812

A

Molecule Summary:

ID: FYI-1010812
Names:
InChIKey: GRVQPMQMSRMJNS-JIAGHLDZSA-N
SMILES: C/C5=C/C[C@@H]3C[C@@H](C[C@]2(C=C[C@H](C)[C@@H](C1CCCCC1)O2)O3)OC(=O)c4cc(C)c(O)cc4/C=C/C=C/[C@H](C)[C@@H]5O

Received at FYIcenter.com on: 2024-07-15

Molecule ID: FYI-1010812 Edit

Molecule Structure InChIKey: GRVQPMQMSRMJNS-JIAGHLDZSA-N

Molecule Structure SMILES String: C/C5=C/C[C@@H]3C[C@@H](C[C@]2(C=C[C@H](C)[C@@H](C1CCCCC1)O2)O3)OC(=O)c4cc(C)c(O)cc4/C=C/C=C/[C@H](C)[C@@H]5O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010812
FYIcenter.com

 41 45  0  0  1  0  0  0  0  0999 V2000
    3.6200   10.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8266    9.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8266    8.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    7.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    6.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4134    5.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4134    4.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2066    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2066    2.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4134    1.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    2.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8266    4.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8266    5.5733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0333    3.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6422    4.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4355    5.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4355    6.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0333    7.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2400    8.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2400    9.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0333   10.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0333   11.8433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4467   10.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6422    7.1989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8489    6.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8489    5.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8489    7.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0555    8.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2622    7.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2622    6.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0555    5.8056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4688    5.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4688    4.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6756    3.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8822    4.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8822    5.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6756    6.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4688    8.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4134    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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
  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 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  1  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 22  2  1  0  0  0  0
 22 23  1  6  0  0  0
 24 21  1  0  0  0  0
 18 25  1  1  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 16  1  0  0  0  0
 26 28  1  1  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 32 26  1  0  0  0  0
 31 33  1  1  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 38 33  1  0  0  0  0
 30 39  1  6  0  0  0
 40 10  1  0  0  0  0
 41  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010812-3D
FYIcenter.com

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