Mrv0541 01131514022D          

 21 20  0  0  0  0            999 V2000
    7.7264   -5.5840    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    8.4388   -5.9877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1512   -5.5840    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    9.8636   -5.9877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5761   -5.5840    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   11.2885   -5.9877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0009   -5.5840    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   12.7133   -5.9877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4258   -5.5840    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    7.0140   -5.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7264   -4.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7264   -6.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1512   -4.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1512   -6.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5761   -4.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5761   -6.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0009   -4.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0009   -6.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1382   -5.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4258   -4.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4258   -6.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18  7  1  0  0  0  0
  9  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20  9  1  0  0  0  0
 21  9  1  0  0  0  0
M  END
> <ID>
CHEBI:84272

> <NAME>
dodecamethylpentasiloxane

> <DEFINITION>
An  organosiloxane that is pentasiloxane in which all the hydrogens have been replaced by methyl groups. Metabolite observed in cancer metabolism.

> <STAR>
3

> <IUPAC_NAME>
dodecamethylpentasiloxane

> <FORMULA>
C12H36O4Si5

> <MASS>
384.83930

> <MONOISOTOPIC_MASS>
384.14599

> <CHARGE>
0

> <SMILES>
C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C

> <INCHI>
InChI=1S/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3

> <INCHIKEY>
FBZANXDWQAVSTQ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
141-63-9

> <REAXYS_REGISTRY_NUMBER>
1792965

> <CHEMIDPLUS>
141-63-9

> <PUBMED_CITATION>
24255951; 24753603; 25518943; 9105171

$$$$