11341443
  -OEChem-05251306442D

 72 75  0     1  0  0  0  0  0999 V2000
    8.8528   -2.1966    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    5.6746    3.2478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8936    0.3334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8004   -1.1979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067   -1.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -2.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0079   -0.2325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5634    3.1090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2132    4.1938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3413   -1.3380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080   -0.5321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4112    2.2652    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6172    0.0562    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7037    0.4629    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1524    1.2993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8082    1.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8571    0.2547    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6342    0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2758    1.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9094   -0.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -1.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6604    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9188    2.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9051   -3.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3221    1.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9488    2.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8514   -2.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8541   -2.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9574   -4.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9037   -3.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9065   -3.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5752    3.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9938   -0.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1898    3.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3271   -1.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3937   -0.2896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9272    0.8086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7059    2.0689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1885    1.4385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4235    0.0025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2940   -0.6684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7281   -1.3369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3320   -0.1050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6900    3.2133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9341    1.4103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8838   -2.7634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4705   -2.1118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8189   -1.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8217   -1.6298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2350   -2.2814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8866   -2.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3383   -4.2263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9899   -4.8130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5766   -4.1614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8740   -2.6284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873   -3.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9389   -3.8667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9362   -3.7620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5229   -3.1104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8713   -2.5237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336   -2.2115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7478   -3.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5664   -2.7159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6037   -0.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9901    0.2197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6731    3.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5781    4.3719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7064    4.2769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2231   -2.1170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9383   -1.6099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4312   -0.8946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 24  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
 15  3  1  6  0  0  0
  3 44  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 32  1  0  0  0  0
  6 21  2  0  0  0  0
  7 22  1  0  0  0  0
  7 34  1  0  0  0  0
  8 33  1  0  0  0  0
  8 35  1  0  0  0  0
  9 33  2  0  0  0  0
 10 34  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 21  1  0  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  6  0  0  0
 14 16  1  0  0  0  0
 14 38  1  6  0  0  0
 15 17  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  6  0  0  0
 17 41  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
 23 45  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  0  0  0  0
 24 31  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 26 33  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
 34 65  1  0  0  0  0
 34 66  1  0  0  0  0
 35 67  1  0  0  0  0
 35 68  1  0  0  0  0
 35 69  1  0  0  0  0
 36 70  1  0  0  0  0
 36 71  1  0  0  0  0
 36 72  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11341443

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
852

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7PAgAAAAAAAAAAAAAFgAAAAAAAAA8WIAABYAWAACxAAAAHhAECEAADSzhuAdyzoMQBgGIAiTSWACCCAAlIgAgiAEObMgeZjLE9Zu0cShnxhnc6Yf+2POOwAABQgAKAACAAAKEABQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H36N2O9Si/c1-23(2,3)36(7,8)34-12-15-19-16(9-14(21(27)31-5)10-18(19)33-13-30-4)25-11-17-20(24(15,29)35-25)26(17)22(28)32-6/h9-10,15,17,20,29H,11-13H2,1-8H3/t15-,17-,20-,24-,26?/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
DXLQHFIXSGAYHB-BHGAJFDVSA-N

> <PUBCHEM_EXACT_MASS>
524.219007

> <PUBCHEM_MOLECULAR_FORMULA>
C24H36N2O9Si

> <PUBCHEM_MOLECULAR_WEIGHT>
524.63614

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C)[Si](C)(C)OCC1C2=C(C=C(C=C2OCOC)C(=O)OC)N3CC4C(C1(O3)O)N4C(=O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C)[Si](C)(C)OC[C@H]1C2=C(C=C(C=C2OCOC)C(=O)OC)N3C[C@H]4[C@@H]([C@]1(O3)O)N4C(=O)OC

> <PUBCHEM_CACTVS_TPSA>
116

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
524.219007

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  37  6
14  38  6
17  20  6
18  19  8
18  22  8
19  23  8
22  25  8
23  26  8
25  26  8
15  3  6

$$$$