Molecule Editor

Molecule ID: FYI-1002314 Edit

Molecule Structure InChIKey: SATGKQGFUDXGAX-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(CCCC(C)C3CCC4C2C(O)CC1=CC(=O)CCC1(C)C2CCC34C)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002314
FYIcenter.com

 73 76  0  0  0  0  0  0  0  0999 V2000
    3.4753   12.5289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4002   14.7790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2136    2.1019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7743    8.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3413    9.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2790   10.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6496   10.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6407    7.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1450    8.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9400    9.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5873   11.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0866    9.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070    8.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8459   12.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0354    7.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1543   12.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7836   13.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9580   11.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0203   10.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    5.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8224    5.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8956   12.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0919   14.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4626   13.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    4.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6407    3.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6407    2.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5128   11.0444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0269   11.2794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0203   10.6725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3921    7.0709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9276    6.8416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1864    7.3018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7936   11.2571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6599   10.4334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1240    8.3431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4609    9.6977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1364    8.8221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5687    7.4923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4129   13.5703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5433    4.9298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4461    7.3808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4530    5.8115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7015    6.9360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0749   14.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7422   14.2165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7380   10.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9993   10.4259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3131   10.6501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4533    8.9894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5656    9.8495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0258    5.6052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7278    6.8130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5592    6.7783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    4.9045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4570    4.2165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9369   11.4672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2283   12.8379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6589   15.3616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0422   13.8616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0258    4.2039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7265    2.9903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0419    3.5032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1241    4.7789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    2.8026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1536    0.1877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    0.7006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5549    2.6148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 64  1  0  0  0  0
  2 26  2  0  0  0  0
  3 31  1  0  0  0  0
  3 73  1  0  0  0  0
  4 31  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 33  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 34  1  0  0  0  0
  9 14  1  0  0  0  0
  9 16  1  0  0  0  0
  9 35  1  0  0  0  0
 10 13  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 14  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 18  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 19  1  0  0  0  0
 15 44  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  2  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 24  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 22 27  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 23 60  1  0  0  0  0
 24 26  1  0  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
 25 26  1  0  0  0  0
 25 63  1  0  0  0  0
 27 28  1  0  0  0  0
 27 65  1  0  0  0  0
 27 66  1  0  0  0  0
 28 29  1  0  0  0  0
 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 69  1  0  0  0  0
 30 70  1  0  0  0  0
 30 71  1  0  0  0  0
 30 72  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002314-3D
FYIcenter.com

 73 76  0  0  1  0  0  0  0  0999 V2000
   -0.7753    1.5575    0.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0349    2.4692    1.7663 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2246    2.9528    2.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3107    3.7494    1.7717 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1309    5.2443    1.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4925    5.9096    0.7498 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0460    4.8352   -0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2391    7.3020    0.0489 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2151    8.5591    0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5476    8.9534   -1.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8402    7.9441   -2.2972 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7919    6.7230   -2.6282 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2298    6.8628   -3.1859 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9404    8.0436   -2.8541 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0060    5.6690   -2.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5045    4.3292   -3.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5146    3.4968   -3.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2798    2.3027   -4.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2282    1.5977   -4.5626 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8883    2.0380   -4.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0583    3.3620   -4.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9948    4.0811   -3.3812 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2628    2.9451   -2.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1430    5.5103   -3.4072 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6282    5.3882   -3.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8923    6.4254   -2.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6113    7.4609   -1.3924 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4272    8.4365   -1.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9528    3.6176    1.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2657    3.9340    0.2705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4443    4.2586    2.4936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3165    0.6116    0.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1311    2.0236   -0.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7188    1.2998    0.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6098    1.8440    2.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7224    2.0340    2.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0535    3.4914    3.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5548    3.1379    0.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1901    3.7336    2.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7800    5.8506    2.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3601    5.2866    0.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1908    6.0542    1.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2234    4.6073   -0.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3196    3.9318    0.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9620    5.0312   -0.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5469    7.6740    0.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0855    8.5309    0.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6427    9.4357    0.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6285    9.0081   -1.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2166    9.9712   -1.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4985    8.4069   -3.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0062    6.4374   -1.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268    6.8185   -4.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3284    7.9443   -1.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0015    5.7010   -1.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0641    5.8099   -2.8551 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6030    3.7402   -3.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4882    1.2988   -4.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9112    1.5429   -5.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0540    3.1158   -5.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5140    4.0257   -5.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8935    2.0872   -2.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931    2.5711   -3.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8536    3.1809   -1.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2048    5.8203   -4.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3506    4.4169   -2.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1361    5.3949   -4.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0902    5.9277   -1.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567    7.0367   -3.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3487    7.8166   -0.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0279    8.9502   -1.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6627    9.1845   -0.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1508    3.8780    3.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 40  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 42  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  7 45  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 46  1  0  0  0  0
  9 10  1  0  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
 10 11  1  0  0  0  0
 10 49  1  0  0  0  0
 10 50  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 11 51  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 12 52  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 53  1  0  0  0  0
 14 54  1  0  0  0  0
 15 16  1  0  0  0  0
 15 55  1  0  0  0  0
 15 56  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 57  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 58  1  0  0  0  0
 20 59  1  0  0  0  0
 21 22  1  0  0  0  0
 21 60  1  0  0  0  0
 21 61  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
 24 25  1  0  0  0  0
 24 65  1  0  0  0  0
 25 26  1  0  0  0  0
 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
 26 27  1  0  0  0  0
 26 68  1  0  0  0  0
 26 69  1  0  0  0  0
 27 28  1  0  0  0  0
 28 70  1  0  0  0  0
 28 71  1  0  0  0  0
 28 72  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 73  1  0  0  0  0
M  END
$$$$