Molecule Editor

Molecule ID: FYI-1004073 Edit

Molecule Structure InChIKey: PRYHOGCYPICMAJ-DZKOZXKNSA-N

Molecule Structure SMILES String: CC[C@H]5CN4CCc2c([nH]c3cccc(OC1OC(C(=O)O)C(O)[C@@H](O)C1O)c23)[C@H]4C[C@@H]5/C(=C\OC)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004073
FYIcenter.com

 40 44  0  0  1  0  0  0  0  0999 V2000
    0.0000    4.2000    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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    5.8674    0.0000 N   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   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
    4.8498    0.0000    0.0000 O   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 O   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
    8.2166    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6089    7.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    8.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9631    9.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1402   10.5443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7096   11.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8867   12.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4561   14.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8485   14.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6714   13.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1020   11.9696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0638   13.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6332   14.6738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8867   12.2622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4179   15.6601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6333   15.3675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4944   12.8095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3555    9.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1783    8.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  1  0  0  0
  4  3  1  0  0  0  0
  5 22  1  0  0  0  0
  6  3  1  0  0  0  0
  6  7  1  6  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
  5 15  1  0  0  0  0
 16  6  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  1  0  0  0
 18  4  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 15 24  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  2  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  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 27  1  0  0  0  0
 33 31  1  0  0  0  0
 34 33  1  0  0  0  0
 35 33  2  0  0  0  0
 36 30  1  0  0  0  0
 29 37  1  6  0  0  0
 38 28  1  0  0  0  0
 39 25  1  0  0  0  0
 40 39  2  0  0  0  0
 21 40  1  0  0  0  0
 15 21  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004073-3D
FYIcenter.com

 76 80  0  0  1  0  0  0  0  0999 V2000
    1.1398    0.2883   -1.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0443    0.1335   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1850    1.1858    0.0439 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6766    2.6248    0.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4229    2.9433    1.7663 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.2900    4.4058    2.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5147    4.6623    3.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9381    3.7061    4.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8256    2.6869    4.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0303    1.9731    5.2483 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1428    2.3946    6.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8902    1.8630    7.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8706    2.4555    8.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1476    3.5488    7.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4245    4.0935    6.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2314    5.1403    5.9100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5487    5.5135    6.3358 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4998    4.4315    6.3583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5900    3.7705    5.0755 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.5126    2.5586    5.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9148    1.8839    4.2734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8163    2.2826    6.4973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    4.7306    3.9826 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.4300    5.1879    4.1686 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1912    5.9901    3.9441 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7461    6.9419    3.0265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0401    6.6066    5.3523 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1367    7.7213    5.3409 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4480    3.4955    5.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3958    2.4025    2.7405 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5947    0.9136    2.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2047    0.6692    1.1099 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6681    1.1096    0.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6379    0.6427    1.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3911   -0.2441    2.8236 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5604   -0.6992    3.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1026    2.0659   -0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4810    3.0657   -0.3777 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2507    1.6537   -0.6523 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5897    2.4461   -1.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4548   -0.5654   -1.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7184    0.3035   -2.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5329    1.1952   -1.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.8628   -0.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4227    0.1161    0.8204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6767    1.2128   -0.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7392    2.7921   -0.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3579    3.3650   -0.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7634    4.9064    1.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2873    4.8738    2.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4532    4.5017    3.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6565    5.6986    3.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.1748    5.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4396    1.0048    7.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6303    2.0388    9.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6396    3.9596    8.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4810    5.9488    7.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6106    3.3622    4.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3719    2.9335    7.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0591    4.2383    3.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6004    5.3021    5.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2049    5.7453    3.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6939    6.7169    2.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0101    6.9977    5.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3117    7.4254    4.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3602    2.9214    2.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6333    0.3908    2.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2112    0.4753    3.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2609   -0.4224    0.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6749    0.9463    1.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2433   -1.2065    4.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2147    0.1318    3.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0971   -1.4179    2.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5567    2.1097   -2.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6703    3.5080   -1.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375    2.3024   -2.5749 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
  2 44  1  0  0  0  0
  2 45  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 46  1  6  0  0  0
  4  5  1  0  0  0  0
  4 47  1  0  0  0  0
  4 48  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 49  1  0  0  0  0
  6 50  1  0  0  0  0
  7  8  1  0  0  0  0
  7 51  1  0  0  0  0
  7 52  1  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 53  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  2  0  0  0  0
 12 13  2  0  0  0  0
 12 54  1  0  0  0  0
 13 14  1  0  0  0  0
 13 55  1  0  0  0  0
 14 15  2  0  0  0  0
 14 56  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 17 57  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 19 58  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 59  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 62  1  6  0  0  0
 26 63  1  0  0  0  0
 27 28  1  0  0  0  0
 27 64  1  0  0  0  0
 28 65  1  0  0  0  0
 30 31  1  0  0  0  0
 30 66  1  6  0  0  0
 31 32  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 32 33  1  0  0  0  0
 32 69  1  6  0  0  0
 33 34  2  0  0  0  0
 33 37  1  0  0  0  0
 34 35  1  0  0  0  0
 34 70  1  0  0  0  0
 35 36  1  0  0  0  0
 36 71  1  0  0  0  0
 36 72  1  0  0  0  0
 36 73  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 74  1  0  0  0  0
 40 75  1  0  0  0  0
 40 76  1  0  0  0  0
M  END
$$$$