Molecule FYI-1000379

Home > Molecule

A

Molecule Summary:

ID: FYI-1000379
SMILES: Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2

Received at FYIcenter.com on: 2021-04-20

Molecule ID: FYI-1000379 Edit

Molecule Structure SMILES String: Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1000379
FYIcenter.com

 43 48  0  0  0  0  0  0  0  0999 V2000
    6.0803   12.6377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0803   11.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8643   10.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8643    9.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6482    8.4251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0803    8.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2963    9.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2963   10.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5124    8.4251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5124    7.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7285    6.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9446    7.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1606    6.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1606    4.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3767    4.2126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9446    4.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9446    2.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7285    4.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2963    6.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2963    4.9147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0803    4.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2963    3.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5124    4.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7285    3.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7285    2.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9446    1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5124    1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4205    2.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8643    4.9147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6482    4.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4321    4.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2160    4.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2160    2.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4321    2.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4321    0.7021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6482    2.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8643    2.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8643    0.7021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0803    2.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0482    1.8581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0803    7.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  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 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 18 11  1  0  0  0  0
 19 10  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  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 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
 29 22  1  0  0  0  0
 30 21  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 33  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 36  2  0  0  0  0
 38 31  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 39  1  0  0  0  0
 41 21  1  0  0  0  0
 42 41  1  0  0  0  0
 43 19  1  0  0  0  0
 43  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000379-3D
FYIcenter.com

 69 74  0  0  1  0  0  0  0  0999 V2000
    8.1456    4.3031    5.8672 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667    3.1501    5.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6262    1.9631    5.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750    0.8246    4.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1894   -0.3695    5.2772 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2447    0.8610    3.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8296    2.0424    3.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7673    3.1939    3.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4857    2.1606    1.9352 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8717    0.9543    1.2212 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3339    1.6059   -0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4601    2.4677    0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7459    3.4011   -0.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9089    3.4689   -2.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0419    4.4532   -3.0364 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8550    2.5659   -2.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0258    2.6714   -3.3176 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5701    1.6213   -1.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7119   -0.0803    1.2332 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8500   -1.2755    0.4453 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6320   -2.4197    0.8808 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1243   -2.0730    0.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6488   -1.6991   -0.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0181   -1.7653   -0.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8711   -2.1812    0.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1930   -2.4278    0.0391 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3776   -2.4118    1.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2125   -2.8561    2.5339 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0227   -2.3093    1.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2446   -2.8447    2.2121 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5498   -4.1102    2.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4130   -4.3401    4.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7388   -5.5881    4.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197   -5.8625    5.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2041   -6.6029    3.7067 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3258   -6.3662    2.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7783   -7.3549    1.5132 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9818   -5.1282    1.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0059   -4.8994    0.3003 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3414   -4.8414   -0.2392 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2316   -3.6166   -0.0754 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3553   -3.3646   -1.4886 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3414   -0.3644    2.7021 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6671    4.1468    6.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1819    1.9221    6.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8802   -0.2589    6.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1988    4.1225    3.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7519    0.5309    1.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0541    2.4863    0.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5727    4.0910   -0.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5913    5.1566   -2.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3414    3.4704   -3.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7036    0.9797   -1.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8421    0.4284    0.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9720   -1.4457   -1.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3773   -1.5565   -1.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3373   -2.3772   -0.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0711   -2.9849    2.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6823   -2.5290    2.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0564   -3.5407    4.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3478   -5.0534    6.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4480   -7.5682    4.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9599   -8.1518    2.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5264   -5.7375   -0.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9645   -4.9106    0.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1643   -3.8106    0.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1296   -3.8827   -1.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1270   -0.9455    3.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4074   -0.9413    2.7274 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 44  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  2  0  0  0  0
  3 45  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 46  1  0  0  0  0
  6  7  2  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 47  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10 48  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  2  0  0  0  0
 12 13  2  0  0  0  0
 12 49  1  0  0  0  0
 13 14  1  0  0  0  0
 13 50  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 51  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 19 54  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 30  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 29  2  0  0  0  0
 23 24  2  0  0  0  0
 23 55  1  0  0  0  0
 24 25  1  0  0  0  0
 24 56  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 57  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 38  2  0  0  0  0
 32 33  2  0  0  0  0
 32 60  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 61  1  0  0  0  0
 35 36  2  0  0  0  0
 35 62  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 63  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 64  1  0  0  0  0
 40 65  1  0  0  0  0
 41 42  1  0  0  0  0
 41 66  1  0  0  0  0
 42 67  1  0  0  0  0
 43 68  1  0  0  0  0
 43 69  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-05-04, 2393👍, 0💬