Molecule Editor

Molecule ID: FYI-1004405 Edit

Molecule Structure InChIKey: KXBBMPIYFWYLLN-UQMNRHCWSA-N

Molecule Structure SMILES String: CC[C@@H]4CN3CC[C@@]2(O)C(=Nc1cccc(OC)c12)[C@H]3CC4[C@@H](CO[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004405
FYIcenter.com

 41 45  0  0  1  0  0  0  0  0999 V2000
    7.7097   13.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1401   12.6442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9631   11.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3554   11.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1783   10.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6089    9.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937   10.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    7.9674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7306    9.3674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 12 10  1  0  0  0  0
 11  7  1  0  0  0  0
 11 13  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13  9  1  0  0  0  0
 19 16  1  0  0  0  0
 19 20  1  6  0  0  0
 14 15  1  1  0  0  0
 14 17  1  0  0  0  0
 23 20  1  0  0  0  0
 28 17  1  0  0  0  0
 18 24  2  0  0  0  0
 21 22  1  0  0  0  0
 22 24  1  0  0  0  0
 28 19  1  0  0  0  0
 29 28  1  0  0  0  0
 29 30  1  1  0  0  0
 24 29  1  0  0  0  0
 25 27  2  0  0  0  0
 33 30  1  0  0  0  0
 34 33  1  6  0  0  0
 35 34  1  0  0  0  0
 26 27  1  0  0  0  0
 35 37  1  1  0  0  0
 39 27  1  6  0  0  0
 32 31  1  6  0  0  0
 40 34  1  0  0  0  0
 39 40  1  0  0  0  0
 38 39  1  0  0  0  0
 38 36  1  1  0  0  0
 32 35  1  0  0  0  0
 32 38  1  0  0  0  0
  9 41  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004405-3D
FYIcenter.com

 79 83  0  0  1  0  0  0  0  0999 V2000
    4.7432   -0.1662   -1.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3665   -0.3565    0.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9626   -0.9545    0.3669 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5217   -0.8050    1.9006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2046   -1.4785    2.1977 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.8729   -1.5437    3.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2812   -2.5786    4.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2309   -3.9878    3.3405 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2252   -4.1581    2.3547 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1056   -3.8848    2.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0796   -4.4943    3.2999 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4796   -5.3171    4.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2143   -6.2310    4.9624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5203   -7.2378    5.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1261   -7.2761    5.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6087   -6.2806    4.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9501   -6.5194    4.7401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6063   -6.2954    3.5005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0789   -5.2282    4.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4114   -2.8298    1.6890 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3707   -2.9256    0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7546   -2.3945   -0.3187 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9255   -3.4886   -0.2104 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1913   -4.0493    1.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3154   -4.9036    1.3787 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2873   -5.3664    2.7365 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5271   -4.3135    3.6820 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7825   -3.6700    3.5035 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8578   -2.6508    2.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2906   -2.8725    1.2324 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3210   -1.4490    2.6964 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9745   -4.6356    3.4785 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3171   -4.9215    4.8492 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023   -5.9420    2.7045 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8819   -5.7538    1.2983 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3048   -6.4911    2.9923 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2247   -6.9485    4.3582 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5962   -4.6697   -1.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9437   -4.7507   -2.2924 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8494   -5.6079   -0.4697 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580   -6.8351   -1.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7301    0.3036   -1.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0224    0.4795   -1.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7935   -1.1178   -1.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4221    0.6227    0.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1216   -0.9857    0.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2620   -0.2932   -0.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4640    0.2562    2.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3204   -1.2290    2.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5635   -0.5455    3.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7687   -1.7992    4.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2438   -2.0953    3.8402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2251   -2.7137    5.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6953   -3.3144    2.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2940   -6.1797    4.9902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0549   -8.0173    6.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4036   -8.1324    5.8666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4780   -6.9552    3.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9796   -6.5289    2.6313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9795   -5.2699    3.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4583   -2.9329    1.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5829   -2.2750   -0.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1413   -3.9285   -0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6497   -2.2042   -1.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8686   -3.0708   -0.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3415   -4.6629    1.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3148   -3.2147    1.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2888   -5.8029    2.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8989   -3.0643    4.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9564   -1.4151    3.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8463   -4.1342    3.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5597   -5.3751    5.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4364   -6.6911    3.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1956   -5.1338    0.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881   -7.3401    2.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6441   -6.3390    4.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -7.1374   -0.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2520   -7.5951   -0.7517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6174   -6.7715   -2.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  2 45  1  0  0  0  0
  2 46  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  3  2  1  0  0  0  0
  3 47  1  6  0  0  0
  4  5  1  0  0  0  0
  4 48  1  0  0  0  0
  4 49  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 50  1  0  0  0  0
  6 51  1  0  0  0  0
  7  8  1  0  0  0  0
  7 52  1  0  0  0  0
  7 53  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  9 54  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  2  0  0  0  0
 13 55  1  0  0  0  0
 14 15  1  0  0  0  0
 14 56  1  0  0  0  0
 15 16  2  0  0  0  0
 15 57  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 58  1  0  0  0  0
 18 59  1  0  0  0  0
 18 60  1  0  0  0  0
 20 21  1  0  0  0  0
 20 61  1  1  0  0  0
 21 22  1  0  0  0  0
 21 62  1  0  0  0  0
 21 63  1  0  0  0  0
 22 23  1  0  0  0  0
 22 64  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 23 65  1  6  0  0  0
 24 25  1  0  0  0  0
 24 66  1  0  0  0  0
 24 67  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 36  1  0  0  0  0
 26 68  1  1  0  0  0
 27 28  1  0  0  0  0
 28 32  1  0  0  0  0
 28 29  1  0  0  0  0
 28 69  1  1  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 70  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 71  1  6  0  0  0
 33 72  1  0  0  0  0
 34 36  1  0  0  0  0
 34 35  1  0  0  0  0
 34 73  1  1  0  0  0
 35 74  1  0  0  0  0
 36 37  1  0  0  0  0
 36 75  1  6  0  0  0
 37 76  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 77  1  0  0  0  0
 41 78  1  0  0  0  0
 41 79  1  0  0  0  0
M  END
$$$$