Molecule FYI-1012006

A

Molecule Summary:

ID: FYI-1012006
Names:
InChIKey: PAIKRGQFDMVSAK-RASILQEVSA-N
SMILES: C/C=C(C)/C(=O)OC6CC(OC(=O)/C=C/c1ccccc1)C9(C(=O)OC)COC8C(O)C(C)(C23OC2(C)C5CC3OC4OC=CC45O)C7C(O)(C(=O)OC)OCC67C89

Received at FYIcenter.com on: 2024-08-14

Molecule ID: FYI-1012006 Edit

Molecule Structure InChIKey: PAIKRGQFDMVSAK-RASILQEVSA-N

Molecule Structure SMILES String: C/C=C(C)/C(=O)OC6CC(OC(=O)/C=C/c1ccccc1)C9(C(=O)OC)COC8C(O)C(C)(C23OC2(C)C5CC3OC4OC=CC45O)C7C(O)(C(=O)OC)OCC67C89

Download SDF Download SVG Structure in 2D SDF:

FYI-1012006
FYIcenter.com

 58 66  0  0  0  0  0  0  0  0999 V2000
   12.0207   15.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8187   14.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8187   13.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0207   12.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6165   12.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4145   13.0362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6165   10.9541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3773   10.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2124   10.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0103   10.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0103    8.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9788    7.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5433    6.6753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9239    6.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2124    8.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4145    8.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0106   10.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3077   10.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6754    8.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5335    7.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3884    6.5971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1205    6.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0072    4.6492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2434    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5113    5.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8173    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7462    3.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0142    4.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8691    5.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4402    6.8127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2267    5.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6984    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5141    1.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3782    0.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3782    1.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3468    2.7456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0498    2.5627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9781    8.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2143    6.9078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0445    9.1640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8081   10.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8450    7.3772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7423    9.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4117   10.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6194    8.6209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3513    9.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9010   11.0144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8082   12.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0103   13.0362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6062   13.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6062   14.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   15.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   16.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020   17.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   16.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   15.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020   14.4242    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  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  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  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 16  8  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
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 14  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 21  1  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
 29 25  1  0  0  0  0
 30 29  1  0  0  0  0
 30 25  1  0  0  0  0
 31 29  1  0  0  0  0
 32 28  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 36 32  1  0  0  0  0
 37 36  1  0  0  0  0
 37 26  1  0  0  0  0
 38 32  1  0  0  0  0
 39 19  1  0  0  0  0
 40 39  2  0  0  0  0
 41 39  1  0  0  0  0
 42 41  1  0  0  0  0
 43 19  1  0  0  0  0
 44 11  1  0  0  0  0
 45 44  2  0  0  0  0
 46 44  1  0  0  0  0
 47 46  1  0  0  0  0
 48 10  1  0  0  0  0
 49 48  1  0  0  0  0
 50 49  2  0  0  0  0
 51 49  1  0  0  0  0
 52 51  2  0  0  0  0
 53 52  1  0  0  0  0
 54 53  2  0  0  0  0
 55 54  1  0  0  0  0
 56 55  2  0  0  0  0
 57 56  1  0  0  0  0
 58 57  2  0  0  0  0
 58 53  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012006-3D
FYIcenter.com

106114  0  0  1  0  0  0  0  0999 V2000
    1.7862   -4.8180   -0.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0909   -4.1393   -0.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400   -3.1340    0.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3462   -2.5742    1.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7363   -2.6281    0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5450   -3.0174   -0.3714 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0230   -1.8179    1.5132 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4057   -1.4760    1.8259 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2220   -0.9656    0.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744   -0.9163    0.6100 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1785    0.3664    1.1955 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2760    1.4309    0.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0156    1.4528   -0.8285 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8608    2.5665    1.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0913    3.7685    0.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7303    4.9053    1.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6925    4.7220    2.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3328    5.8171    2.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0332    7.1040    2.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0864    7.3164    1.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4419    6.2281    0.8487 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3295   -2.1016    1.4380 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2332   -3.4064    0.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8620   -3.4704   -0.5253 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6214   -4.4844    1.3707 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5674   -5.7604    0.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7770   -1.9555    1.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8410   -2.3722    3.3178 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5183   -2.6845    3.7726 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2257   -2.1258    5.2128 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5337   -3.1635    6.1627 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6833   -1.5956    5.3925 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1688   -1.9144    6.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6078    0.0247    5.2597 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1747    0.1971    5.6192 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6432    1.2777    4.9325 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3361    1.5411    3.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0717    2.4694    5.7824 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5697    2.3398    5.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7474    0.8545    5.9729 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7336    0.6971    7.3798 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7533    1.4375    8.1072 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8994    0.5627    8.8977 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6133    0.9503    8.6034 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4768    1.9688    7.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8174    2.4158    7.3185 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9983    3.7530    7.8289 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8729   -2.5239    4.3684 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6457   -3.4110    4.6185 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4685   -2.6651    4.4340 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7593   -4.3122    5.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9069   -4.3207    6.8496 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266   -5.0276    5.9936 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.7228    7.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7263   -4.3600    3.5204 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6835   -3.9254    2.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1288   -2.4748    2.8170 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6004   -2.0648    2.7561 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9072   -5.6180   -1.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0524   -4.1098   -0.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4130   -5.2707    0.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8970   -4.5126   -1.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5014   -3.2536    1.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9526   -1.6225    1.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859   -2.4107    2.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2836   -0.5825    2.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8363    0.0315    0.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0028   -1.5504   -0.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1858   -0.9629   -0.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1119    2.3711    2.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8139    3.9439   -0.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9807    3.7217    2.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0829    5.6423    3.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5460    7.9528    2.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8561    8.3300    1.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7115    6.4193    0.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3433   -6.3942    1.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7499   -5.6942   -0.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5951   -6.2236    0.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4934   -2.5611    1.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1326   -0.9220    1.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4369   -3.7808    3.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9438   -1.3443    5.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3479   -4.0400    5.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4927   -1.1810    7.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5192   -2.8611    7.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -1.9061    6.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4033    1.0714    3.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1716    1.2099    2.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2407    2.6136    3.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6848    3.4107    5.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1456    3.0543    6.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8226    2.4904    4.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7363    0.5701    5.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3273    1.9965    8.8567 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8491    0.3518    9.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5348    2.4007    7.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9604    3.6954    8.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5245   -3.3784    4.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2947   -2.1923    5.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2560   -6.0014    7.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5982   -6.6311    7.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0216   -5.0857    8.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1956   -4.0919    1.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5126   -4.6310    2.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6024   -0.9995    3.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 59  1  0  0  0  0
  1 60  1  0  0  0  0
  1 61  1  0  0  0  0
  2  3  2  0  0  0  0
  2 62  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4 63  1  0  0  0  0
  4 64  1  0  0  0  0
  4 65  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 57  1  0  0  0  0
  8 66  1  0  0  0  0
  9 10  1  0  0  0  0
  9 67  1  0  0  0  0
  9 68  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 69  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 70  1  0  0  0  0
 15 16  1  0  0  0  0
 15 71  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 72  1  0  0  0  0
 18 19  1  0  0  0  0
 18 73  1  0  0  0  0
 19 20  2  0  0  0  0
 19 74  1  0  0  0  0
 20 21  1  0  0  0  0
 20 75  1  0  0  0  0
 21 76  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 22 58  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 77  1  0  0  0  0
 26 78  1  0  0  0  0
 26 79  1  0  0  0  0
 27 28  1  0  0  0  0
 27 80  1  0  0  0  0
 27 81  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 58  1  0  0  0  0
 29 82  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 83  1  0  0  0  0
 31 84  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 48  1  0  0  0  0
 33 85  1  0  0  0  0
 33 86  1  0  0  0  0
 33 87  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 40  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 88  1  0  0  0  0
 37 89  1  0  0  0  0
 37 90  1  0  0  0  0
 38 39  1  0  0  0  0
 38 46  1  0  0  0  0
 38 91  1  0  0  0  0
 39 40  1  0  0  0  0
 39 92  1  0  0  0  0
 39 93  1  0  0  0  0
 40 41  1  0  0  0  0
 40 94  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 46  1  0  0  0  0
 42 95  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 96  1  0  0  0  0
 45 46  1  0  0  0  0
 45 97  1  0  0  0  0
 46 47  1  0  0  0  0
 47 98  1  0  0  0  0
 48 49  1  0  0  0  0
 48 57  1  0  0  0  0
 48 99  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
 49 55  1  0  0  0  0
 50100  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54101  1  0  0  0  0
 54102  1  0  0  0  0
 54103  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 56104  1  0  0  0  0
 56105  1  0  0  0  0
 57 58  1  0  0  0  0
 58106  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-09-28, 1213👍, 0💬