Molecule FYI-1012837

A

Molecule Summary:

ID: FYI-1012837
Names:
InChIKey: REGMTKDMXZIUJP-FOBOPAEZSA-N
SMILES: C/C=C(C)/C(=O)O[C@@H]4[C@@H]5CC3=C2CC(=O)O[C@@H](c1ccoc1)[C@]2(C)CC[C@@H]3[C@]6(C)[C@@H](C(O)C(=O)OC)[C@]4(C)CO[C@]56O

Received at FYIcenter.com on: 2024-10-23

Molecule ID: FYI-1012837 Edit

Molecule Structure InChIKey: REGMTKDMXZIUJP-FOBOPAEZSA-N

Molecule Structure SMILES String: C/C=C(C)/C(=O)O[C@@H]4[C@@H]5CC3=C2CC(=O)O[C@@H](c1ccoc1)[C@]2(C)CC[C@@H]3[C@]6(C)[C@@H](C(O)C(=O)OC)[C@]4(C)CO[C@]56O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012837
FYIcenter.com

 42 47  0  0  1  0  0  0  0  0999 V2000
    6.4463    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6079    1.3256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5406    2.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3118    1.6056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7118    3.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0045    4.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9985    3.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9985    1.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2273    3.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3889    5.0229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 40  1  1  0  0  0
 11 41  1  6  0  0  0
 42  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012837-3D
FYIcenter.com

 82 87  0  0  1  0  0  0  0  0999 V2000
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M  END
$$$$

✍: FYIcenter.com

2024-10-25, 1082👍, 0💬