Molecule FYI-1005461

A

Molecule Summary:

ID: FYI-1005461
Names:
InChIKey: KBIUSJRYMLTVOW-ZFFBENFFSA-N
SMILES: C/C(C)=C/CC[C@@]2(C)Oc5c(C(=O)/C=C/c1ccccc1)c(O)cc4O[C@]3(C)CC[C@H]2[C@@H](C3)c45

Received at FYIcenter.com on: 2023-10-30

Molecule ID: FYI-1005461 Edit

Molecule Structure InChIKey: KBIUSJRYMLTVOW-ZFFBENFFSA-N

Molecule Structure SMILES String: C/C(C)=C/CC[C@@]2(C)Oc5c(C(=O)/C=C/c1ccccc1)c(O)cc4O[C@]3(C)CC[C@H]2[C@@H](C3)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1005461
FYIcenter.com

 34 38  0  0  1  0  0  0  0  0999 V2000
    5.9790    6.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7031    5.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6126    6.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7980    8.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2299    8.9391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2299   10.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4239   11.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6180   10.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  8  1  0  0  0  0
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 14 16  1  6  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  6  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  6  0  0  0
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 24  4  1  0  0  0  0
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 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 23 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005461-3D
FYIcenter.com

 68 72  0     1  0  0  0  0  0999 V2000
   -4.5095   -1.1269    1.0698 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-11-06, 937👍, 0💬