Molecule FYI-1012156

A

Molecule Summary:

ID: FYI-1012156
Names:
InChIKey: CTVQUVJPFDHBIP-NBNGAXDASA-N
SMILES: O=C(O[C@@H]2Cc1c(O)cc(O)cc1O[C@@H]2c6cc(O)c(O)c7c(=O)c(O)cc(C(=O)O[C@@H]4Cc3c(O)cc(O)cc3O[C@@H]4c5ccc(O)c(O)c5)cc67)c8cc(O)c(O)c(O)c8

Received at FYIcenter.com on: 2024-08-16

Molecule ID: FYI-1012156 Edit

Molecule Structure InChIKey: CTVQUVJPFDHBIP-NBNGAXDASA-N

Molecule Structure SMILES String: O=C(O[C@@H]2Cc1c(O)cc(O)cc1O[C@@H]2c6cc(O)c(O)c7c(=O)c(O)cc(C(=O)O[C@@H]4Cc3c(O)cc(O)cc3O[C@@H]4c5ccc(O)c(O)c5)cc67)c8cc(O)c(O)c(O)c8

Download SDF Download SVG Structure in 2D SDF:

FYI-1012156
FYIcenter.com

 62 69  0  0  1  0  0  0  0  0999 V2000
    8.2006   14.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9882   15.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9882   16.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   17.2568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4130   16.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6254   17.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8380   16.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8380   15.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6254   14.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4130   15.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6254   13.0568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0504   17.2568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7757   17.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5633   16.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3509   17.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3509   18.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5633   19.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7757   18.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1384   19.3568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1384   16.5568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7757   14.4568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7757   13.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9882   12.3568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5633   12.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6679   10.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   10.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2572   10.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3845    9.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8959    7.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2802    7.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1531    8.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375    8.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0490    7.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4333    6.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3062    8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6905    7.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5634    8.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0520   10.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6677   10.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7948    9.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    9.5911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9249   11.3629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2021    6.5674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1761    6.0988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875    4.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0719    4.5870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    3.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3261    2.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4533    1.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0689    1.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5574    2.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4303    3.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1731    3.0239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1960    0.4173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9647    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0230    6.7247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5572   11.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1611   11.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688   12.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4066   13.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1165   13.7590    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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
  3 13  1  1  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
  2 21  1  1  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
 32 31  1  1  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 40 35  1  0  0  0  0
 41 40  1  0  0  0  0
 41 32  1  0  0  0  0
 42 38  1  0  0  0  0
 43 36  1  0  0  0  0
 33 44  1  1  0  0  0
 45 44  1  0  0  0  0
 46 45  2  0  0  0  0
 47 45  1  0  0  0  0
 48 47  2  0  0  0  0
 49 48  1  0  0  0  0
 50 49  2  0  0  0  0
 51 50  1  0  0  0  0
 52 51  2  0  0  0  0
 52 47  1  0  0  0  0
 53 51  1  0  0  0  0
 54 50  1  0  0  0  0
 55 49  1  0  0  0  0
 56 29  1  0  0  0  0
 57 28  1  0  0  0  0
 58 27  1  0  0  0  0
 59 58  2  0  0  0  0
 60 58  1  0  0  0  0
 61 60  2  0  0  0  0
 61 24  1  0  0  0  0
 62 60  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012156-3D
FYIcenter.com

 94101  0  0  1  0  0  0  0  0999 V2000
   -1.8312    7.1529   -2.1654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7261    6.9047   -1.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1512    7.4762   -0.6520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7765    8.6035    0.0252 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9235    9.8449   -0.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3818   10.1697   -1.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4259   10.7425   -2.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6832   11.2202   -3.4875 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6146   10.8387   -3.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7817   10.4222   -2.9634 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9605   10.4513   -3.6788 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7808    9.9511   -1.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5655    9.8068   -0.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5535    9.2377    0.3743 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2081    8.9809    1.1154 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3434    8.0298    2.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7400    8.2163    2.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2324    7.8867    4.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5581    7.9915    4.4334 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3307    7.5561    5.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7857    7.2306    6.3578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0481    7.5268    4.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8794    7.7654    6.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2141    8.8965    6.3372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4549    6.5050    6.5464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6211    5.3981    6.5237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6649    6.5303    5.9589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8651    5.8741    4.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8322    4.4836    5.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2806    3.6701    5.7630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2420    4.3966    4.8391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2822    3.1106    4.9536 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.6762    2.9825    5.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9842    1.5796    6.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2189    1.0762    6.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4094    1.7309    6.8099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3561   -0.1745    7.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2382   -0.9744    7.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2930   -2.1800    8.4723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0189   -0.5460    7.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9160    0.6986    6.6814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6968    1.0350    6.1785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8063    1.6451    4.8751 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5591    1.3913    4.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5487    1.4140    2.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3527    1.1605    2.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2210    0.8532    2.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0758    0.5180    2.1648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2494    0.8015    4.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1617    0.4882    4.9534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4126    1.0752    4.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0462    6.4048    3.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6547    7.5166    3.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1787    5.8077   -2.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5831    5.9428   -2.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3823    4.8213   -2.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7457    4.8650   -2.2272 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7965    3.5871   -2.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5659    2.4603   -2.6917 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4148    3.4734   -2.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1540    2.2489   -2.8745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4042    4.5806   -2.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7415    8.3019    0.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2164   10.7302   -0.3033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6906    9.6693   -1.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3155   11.5337   -2.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6005   11.2239   -4.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7706   10.7078   -4.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7340    9.6720   -1.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0285    9.9715    1.5344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4640    8.6887    2.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9380    8.7466    3.9517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3168    6.4223    6.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0394    4.7219    7.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2649    7.4401    6.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7129    3.2985    3.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4995    3.0871    5.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7799    3.7743    6.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4316    2.0552    5.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3309   -0.5175    7.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1534   -2.2840    8.9153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1501   -1.1925    7.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5870    1.0762    4.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4613    1.5922    2.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3202    1.1526    0.9806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0314   -0.4484    2.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4145    0.5042    4.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4231    1.0836    5.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1182    5.9381    2.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0318    6.9043   -1.8824 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0114    5.7617   -1.9557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4815    2.7742   -2.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5963    1.6210   -2.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4836    4.4740   -2.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 54  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4  3  1  0  0  0  0
  4 63  1  1  0  0  0
  5  6  1  0  0  0  0
  5 64  1  0  0  0  0
  5 65  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  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
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 68  1  0  0  0  0
 12 13  1  0  0  0  0
 12 69  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 70  1  1  0  0  0
 16 17  1  0  0  0  0
 16 53  2  0  0  0  0
 17 18  2  0  0  0  0
 17 71  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 72  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 73  1  0  0  0  0
 22 23  1  0  0  0  0
 22 53  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
 25 27  2  0  0  0  0
 26 74  1  0  0  0  0
 27 28  1  0  0  0  0
 27 75  1  0  0  0  0
 28 29  1  0  0  0  0
 28 52  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 33  1  0  0  0  0
 32 43  1  0  0  0  0
 32 31  1  0  0  0  0
 32 76  1  6  0  0  0
 33 34  1  0  0  0  0
 33 77  1  0  0  0  0
 33 78  1  0  0  0  0
 34 35  1  0  0  0  0
 34 41  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 36 79  1  0  0  0  0
 37 38  1  0  0  0  0
 37 80  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 81  1  0  0  0  0
 40 41  1  0  0  0  0
 40 82  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 83  1  6  0  0  0
 44 45  1  0  0  0  0
 44 51  2  0  0  0  0
 45 46  2  0  0  0  0
 45 84  1  0  0  0  0
 46 47  1  0  0  0  0
 46 85  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  2  0  0  0  0
 48 86  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
 50 87  1  0  0  0  0
 51 88  1  0  0  0  0
 52 53  1  0  0  0  0
 52 89  1  0  0  0  0
 54 55  1  0  0  0  0
 54 62  2  0  0  0  0
 55 56  2  0  0  0  0
 55 90  1  0  0  0  0
 56 57  1  0  0  0  0
 56 58  1  0  0  0  0
 57 91  1  0  0  0  0
 58 59  1  0  0  0  0
 58 60  2  0  0  0  0
 59 92  1  0  0  0  0
 60 61  1  0  0  0  0
 60 62  1  0  0  0  0
 61 93  1  0  0  0  0
 62 94  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-09-12, 790👍, 0💬