lauroguadine
  CDK     0223171738
null
 27 27  0  0  0  0  0  0  0  0999 V2000
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   -4.2862   -1.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5722   -2.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0002   -1.9723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2862   -3.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1441   -2.7968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8581   -4.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0020   -3.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7143   -3.2101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4283   -4.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7120   -2.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4260   -3.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1400   -2.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8541   -3.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5681   -2.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2821   -3.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9982   -2.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7122   -3.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4262   -2.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  2  4  2  0  0  0  0 
  2  5  1  0  0  0  0 
  3  6  2  0  0  0  0 
  3  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  7 10  2  0  0  0  0 
  8 11  1  0  0  0  0 
  9 12  2  0  0  0  0 
 10 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 11 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 15 17  2  0  0  0  0 
 15 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  END
> <ID>
CHEBI:135583

> <NAME>
lauroguadine

> <STAR>
2

> <FORMULA>
C20H36N6O

> <MASS>
376.540

> <MONOISOTOPIC_MASS>
376.29506

> <CHARGE>
0

> <SMILES>
N(C(=N)N)C1=C(OCCCCCCCCCCCC)C=CC(=C1)NC(=N)N

> <INCHI>
InChI=1S/C20H36N6O/c1-2-3-4-5-6-7-8-9-10-11-14-27-18-13-12-16(25-19(21)22)15-17(18)26-20(23)24/h12-13,15H,2-11,14H2,1H3,(H4,21,22,25)(H4,23,24,26)

> <INCHIKEY>
QMMMGQKKOKYDMN-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
135-43-3

$$$$