Molecule FYI-1006744

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A

Molecule Summary:

ID: FYI-1006744
Names:
InChIKey: YMJZXOVVRVNBGL-DTWKUNHWSA-N
SMILES: C=CC[C@H](COC)[C@@H](C)C=O

Received at FYIcenter.com on: 2024-01-13

Molecule ID: FYI-1006744 Edit

Molecule Structure InChIKey: YMJZXOVVRVNBGL-DTWKUNHWSA-N

Molecule Structure SMILES String: C=CC[C@H](COC)[C@@H](C)C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006744
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  3  4  1  6  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  5  9  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006744-3D
FYIcenter.com

 27 26  0  0  1  0  0  0  0  0999 V2000
    7.2508    0.4339    2.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3911    0.5009    1.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9645    0.0324    1.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5529   -1.0103    0.3253 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0255   -1.2334    0.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3598    0.0152    0.1957 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9519   -0.1059    0.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3487   -2.3390    0.4092 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1833   -3.1279    1.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9988   -3.2319   -0.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1477   -4.1123   -0.7402 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2513    0.8476    2.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9699   -0.0060    3.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042    0.9906    0.4004 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3493    0.9339    1.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7381   -0.3553    2.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7571   -0.5580   -0.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6932   -1.9261   -0.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414   -1.6340    1.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4957    0.8560    0.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7035   -0.3521    1.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5538   -0.8683   -0.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4185   -2.1260    0.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1347   -3.3517    1.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6062   -2.5859    2.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7044   -4.0907    1.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5421   -3.0122   -1.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  3  1  0  0  0  0
  4 17  1  6  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  6  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
M  END
$$$$

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2024-01-24, 782👍, 0💬