Molecule Editor

Molecule ID: FYI-1010809 Edit

Molecule Structure InChIKey: ZGGDWZSCMCJHBF-KCPMWTRJSA-N

Molecule Structure SMILES String: COc4c(C)ccc5c(=O)c3c(O)c2C[C@@](C)(O)[C@@H](O)C(OC1OC(C)C(O)C(OC)C1O)c2c(O)c3c(=O)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1010809
FYIcenter.com

 40 44  0  0  1  0  0  0  0  0999 V2000
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    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
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    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
    3.6373    2.1000    0.0000 O   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
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   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  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18  9  1  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 24 15  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 22  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 28  1  0  0  0  0
 33 14  1  0  0  0  0
 34 11  1  0  0  0  0
 11 35  1  1  0  0  0
 10 36  1  1  0  0  0
 37  5  1  0  0  0  0
 38  4  1  0  0  0  0
 39 38  1  0  0  0  0
 40  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010809-3D
FYIcenter.com

 72 76  0  0  1  0  0  0  0  0999 V2000
    1.2125   -0.0608    0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6380   -0.0727   -0.0225 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2499    1.1475   -0.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2759    1.2153   -1.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7061    0.0235   -1.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9703    2.4217   -1.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6489    3.5573   -0.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6465    3.4809    0.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3197    4.6812    1.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9805    5.7092    1.0572 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1210    4.6545    2.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6914    5.7906    2.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3409    6.9950    2.5498 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5993    5.7386    3.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3639    6.9775    4.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4534    6.7043    5.6653 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3803    6.0316    6.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9134    7.9622    6.1830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6819    5.8711    5.2985 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4943    6.5976    4.3523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3139    4.4564    4.7793 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4882    3.6813    4.3633 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5384    3.6840    5.3810 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.1647    2.9752    6.5656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2800    1.5464    6.4940 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8886    0.9824    7.8595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7012    1.1071    6.0997 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.6568    1.4399    7.1177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0608    1.7516    4.7440 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.3932    1.4318    4.3144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5662    0.0656    3.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9337    3.2714    4.8603 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.2393    3.9519    3.6421 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1936    4.5557    3.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2345    3.4331    2.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5062    2.2824    2.9914 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4296    3.4677    2.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1234    2.2417    1.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1502    1.2750    2.5634 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9728    2.2776    0.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573   -1.0677   -0.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7578    0.6400   -0.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8618    0.1410    1.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0751   -0.8548   -1.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7341   -0.2479   -1.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6647    0.2660   -3.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7774    2.4713   -2.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000    4.4843   -0.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401    6.8722    1.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1190    7.7385    3.7855 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3232    7.4106    4.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8439    5.0961    6.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2449    5.8085    7.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1789    6.6949    7.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6697    8.2240    5.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2855    5.8156    6.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2323    6.3340    3.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8626    3.8822    5.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7178    4.7129    5.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5661    1.1789    5.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5382    1.3632    8.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8696    1.2862    8.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9378   -0.1116    7.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7344    0.0162    6.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5537    2.3746    7.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3669    1.4039    3.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5497   -0.0507    3.5036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5319   -0.5697    4.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8041   -0.2484    3.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6834    3.6179    5.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7348    3.5350    2.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3742    2.4734    3.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 40  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 44  1  0  0  0  0
  5 45  1  0  0  0  0
  5 46  1  0  0  0  0
  6  7  1  0  0  0  0
  6 47  1  0  0  0  0
  7  8  2  0  0  0  0
  7 48  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 49  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 19  1  0  0  0  0
 16 18  1  1  0  0  0
 16 17  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 18 55  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 56  1  1  0  0  0
 20 57  1  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 21 58  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 32  1  0  0  0  0
 23 59  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 60  1  0  0  0  0
 26 61  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 64  1  0  0  0  0
 28 65  1  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 29 66  1  0  0  0  0
 30 31  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 31 69  1  0  0  0  0
 32 33  1  0  0  0  0
 32 70  1  0  0  0  0
 33 71  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 72  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
$$$$