ISISHOST03240423112D 1   1.00000     0.00000  4338

 29 32  0     0  0            999 V2000
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   -0.9586   -0.2862    0.0000 C   0  0  3  0  0  0           0  0  0
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   -0.2586   -1.5035    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.4414    1.3207    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8379    0.4931    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3552   -1.9000    0.0000 C   0  0  1  0  0  0           0  0  0
   -3.0586   -0.6897    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.8517    2.1241    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4517    2.1207    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.7586   -1.9000    0.0000 O   0  0  0  0  0  0           0  0  0
    2.5586    1.7276    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5517    0.9207    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.7621    1.6207    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7690    0.2207    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  5 10  1  0     0  0
  5 11  1  0     0  0
  5 12  1  1     0  0
  6 13  1  0     0  0
  7 14  1  0     0  0
  7 15  1  1     0  0
  8 16  1  0     0  0
 10 17  1  0     0  0
 11 18  1  0     0  0
 14 19  1  0     0  0
 17 20  1  0     0  0
 17 21  1  6     0  0
 19 22  1  0     0  0
 19 23  1  0     0  0
 20 24  1  1     0  0
 22 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 27 29  1  0     0  0
  7 13  1  0     0  0
  9 10  1  0     0  0
 14 16  1  0     0  0
 18 20  1  0     0  0
M  END
> <ID>
CHEBI:6836

> <NAME>
Methostenol

> <STAR>
2

> <SYNONYM>
Methostenol; 4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol

> <FORMULA>
C28H48O

> <MASS>
400.681

> <MONOISOTOPIC_MASS>
400.37052

> <CHARGE>
0

> <SMILES>
CC(C)CCCC(C)C1CCC2C3=CCC4[C@H](C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C

> <INCHI>
InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19?,20-,22?,23?,24?,25?,26-,27+,28-/m0/s1

> <INCHIKEY>
LMYZQUNLYGJIHI-CEYCLBAKSA-N

> <KEGG_COMPOUND_ACCESSION>
C05111

$$$$