Molecule FYI-1011785

A

Molecule Summary:

ID: FYI-1011785
Names:
InChIKey: DSCPFMRUDHIMNW-KVGPODKWSA-N
SMILES: CCCCCCCCC/C=C/CC/C=C/C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCC

Received at FYIcenter.com on: 2024-08-11

Molecule ID: FYI-1011785 Edit

Molecule Structure InChIKey: DSCPFMRUDHIMNW-KVGPODKWSA-N

Molecule Structure SMILES String: CCCCCCCCC/C=C/CC/C=C/C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1011785
FYIcenter.com

 48 48  0  0  0  0  0  0  0  0999 V2000
   37.5855    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3731    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1605    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9481    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7357    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3108    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    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 C   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
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    9.8000    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
  8  7  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  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  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  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 23  1  0  0  0  0
 29 22  1  0  0  0  0
 30 21  1  0  0  0  0
 31 17  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 31  1  0  0  0  0
 48 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011785-3D
FYIcenter.com

119119  0  0  1  0  0  0  0  0999 V2000
    0.9312    3.4232   -9.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455    3.3751   -9.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9786    4.4511   -8.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4972    4.4068   -8.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0211    5.4841   -7.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5387    5.4392   -7.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0622    6.5175   -6.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5806    6.4731   -6.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0964    7.5581   -5.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5872    7.5250   -5.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2503    7.2968   -4.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7412    7.2558   -4.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2951    8.3343   -3.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7915    8.2927   -3.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5319    8.4662   -4.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0343    8.5208   -4.1441 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.4956    7.4473   -4.9310 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5463    9.8192   -4.7652 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.0162   10.9843   -3.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4807   10.8827   -2.6138 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0364   11.9886   -1.8272 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.5849   13.2189   -2.3451 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0292   13.1681   -2.3778 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.4952   14.4183   -3.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9259   14.3318   -4.3715 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5204   13.1204   -0.9589 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.9540   14.2667   -0.3337 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9754   11.8747   -0.2538 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.3713   11.9408    1.1006 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4286   11.8699   -0.3417 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.8144   10.7441    0.2811 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9921    9.8617   -4.8341 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8023    9.4047   -5.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0052    9.5222   -5.7953 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0336    8.7951   -7.1038 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.1222    9.7287   -7.6579 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9653    8.2557   -8.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8671    7.1637   -7.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8279    6.6792   -8.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7427    5.6157   -8.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7032    5.1209   -9.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6140    4.0546   -8.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5729    3.5578   -9.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4846    2.4910   -9.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4444    1.9937  -10.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3596    0.9270   -9.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3263    0.4242  -10.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2378   -0.6395  -10.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5493    2.6501   -9.8643 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    4.3974   -9.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5066    3.2581   -8.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8523    3.5208  -10.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7719    2.3866   -8.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5710    4.3057   -7.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6492    5.4401   -8.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9091    4.5558   -9.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8309    3.4207   -7.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6108    5.3365   -6.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6889    6.4713   -7.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9491    5.5855   -8.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8708    4.4525   -6.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6481    6.3718   -5.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7297    7.5037   -6.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9910    6.6133   -7.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9100    5.4846   -5.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6732    7.4152   -4.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7801    8.5449   -5.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1290    7.6655   -6.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7060    7.1445   -3.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1478    7.3931   -5.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0716    6.2658   -3.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9002    8.1996   -2.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9730    9.3300   -3.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2840    8.1198   -2.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0289    8.6384   -5.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4440    8.3858   -3.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1243    7.5908   -5.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1520    9.9140   -5.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9245   10.9344   -3.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3214   11.9258   -4.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9401   12.0113   -1.8773 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3598   12.3013   -2.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5873   14.4544   -3.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1368   15.3403   -2.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3365   13.5771   -4.8267 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6095   13.1840   -0.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0243   14.3145   -0.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4111   10.9773   -0.7057 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0740   12.8340    1.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0342   12.7402    0.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4122   10.0101    0.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4643   10.2110   -4.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4435    7.9413   -6.8219 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6651   10.4871   -7.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5528    9.0860   -8.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3784    7.8484   -9.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2696    6.3272   -7.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4573    7.5304   -6.7592 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4250    7.5205   -9.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2642    6.2726   -9.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1453    4.7786   -7.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3057    6.0247   -7.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.3025    5.9571   -9.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1411    4.7108  -10.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0151    3.2188   -8.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1775    4.4647   -7.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1715    4.3939  -10.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0090    3.1480  -10.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8848    1.6560   -8.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0471    2.9018   -8.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.0406    2.8312  -10.5105 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.8790    1.5837  -10.9738 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.7587    0.0932   -9.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.9185    1.3401   -8.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.9277    1.2575  -10.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.7674    0.0099  -11.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.8198   -0.2365   -9.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.9318   -1.0001  -10.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.6543   -1.4897   -9.6660 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 49  1  0  0  0  0
  1 50  1  0  0  0  0
  1 51  1  0  0  0  0
  2  3  1  0  0  0  0
  2 52  1  0  0  0  0
  2 53  1  0  0  0  0
  3  4  1  0  0  0  0
  3 54  1  0  0  0  0
  3 55  1  0  0  0  0
  4  5  1  0  0  0  0
  4 56  1  0  0  0  0
  4 57  1  0  0  0  0
  5  6  1  0  0  0  0
  5 58  1  0  0  0  0
  5 59  1  0  0  0  0
  6  7  1  0  0  0  0
  6 60  1  0  0  0  0
  6 61  1  0  0  0  0
  7  8  1  0  0  0  0
  7 62  1  0  0  0  0
  7 63  1  0  0  0  0
  8  9  1  0  0  0  0
  8 64  1  0  0  0  0
  8 65  1  0  0  0  0
  9 10  1  0  0  0  0
  9 66  1  0  0  0  0
  9 67  1  0  0  0  0
 10 11  2  0  0  0  0
 10 68  1  0  0  0  0
 11 12  1  0  0  0  0
 11 69  1  0  0  0  0
 12 13  1  0  0  0  0
 12 70  1  0  0  0  0
 12 71  1  0  0  0  0
 13 14  1  0  0  0  0
 13 72  1  0  0  0  0
 13 73  1  0  0  0  0
 14 15  2  0  0  0  0
 14 74  1  0  0  0  0
 15 16  1  0  0  0  0
 15 75  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 76  1  0  0  0  0
 17 77  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 18 78  1  0  0  0  0
 19 20  1  0  0  0  0
 19 79  1  0  0  0  0
 19 80  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 81  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 23 82  1  0  0  0  0
 24 25  1  0  0  0  0
 24 83  1  0  0  0  0
 24 84  1  0  0  0  0
 25 85  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 86  1  0  0  0  0
 27 87  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 88  1  0  0  0  0
 29 89  1  0  0  0  0
 30 31  1  0  0  0  0
 30 90  1  0  0  0  0
 31 91  1  0  0  0  0
 32 33  1  0  0  0  0
 32 92  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 93  1  0  0  0  0
 36 94  1  0  0  0  0
 37 38  1  0  0  0  0
 37 95  1  0  0  0  0
 37 96  1  0  0  0  0
 38 39  1  0  0  0  0
 38 97  1  0  0  0  0
 38 98  1  0  0  0  0
 39 40  1  0  0  0  0
 39 99  1  0  0  0  0
 39100  1  0  0  0  0
 40 41  1  0  0  0  0
 40101  1  0  0  0  0
 40102  1  0  0  0  0
 41 42  1  0  0  0  0
 41103  1  0  0  0  0
 41104  1  0  0  0  0
 42 43  1  0  0  0  0
 42105  1  0  0  0  0
 42106  1  0  0  0  0
 43 44  1  0  0  0  0
 43107  1  0  0  0  0
 43108  1  0  0  0  0
 44 45  1  0  0  0  0
 44109  1  0  0  0  0
 44110  1  0  0  0  0
 45 46  1  0  0  0  0
 45111  1  0  0  0  0
 45112  1  0  0  0  0
 46 47  1  0  0  0  0
 46113  1  0  0  0  0
 46114  1  0  0  0  0
 47 48  1  0  0  0  0
 47115  1  0  0  0  0
 47116  1  0  0  0  0
 48117  1  0  0  0  0
 48118  1  0  0  0  0
 48119  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 1256👍, 0💬