CDK    9/10/12,15:50

 22 22  0  0  0  0  0  0  0  0999 V2000
   -1.2223   -5.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2234   -6.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5086   -6.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2078   -6.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2050   -5.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5104   -5.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9382   -6.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6524   -6.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3672   -6.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0813   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3678   -7.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9230   -6.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9368   -5.1543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5129   -4.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2004   -3.9142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9179   -5.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6339   -5.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3468   -5.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0628   -5.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7758   -5.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4918   -5.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2047   -5.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 11  1  0  0  0  0 
  5  6  2  0  0  0  0 
  4 12  1  0  0  0  0 
  6  1  1  0  0  0  0 
  1 13  1  0  0  0  0 
  1  2  2  0  0  0  0 
  6 14  1  0  0  0  0 
  2  7  1  0  0  0  0 
 14 15  2  0  0  0  0 
  3  4  2  0  0  0  0 
  5 16  1  0  0  0  0 
  7  8  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
  8  9  2  0  0  0  0 
 18 19  1  0  0  0  0 
  4  5  1  0  0  0  0 
 19 20  1  0  0  0  0 
  9 10  1  0  0  0  0 
 20 21  1  0  0  0  0 
  2  3  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:68188

> <NAME>
Flavoglaucin

> <DEFINITION>
A natural product found in Eurotium repens. 

> <STAR>
2

> <SYNONYM>
2-Heptyl-3,6-dihydroxy-5-(3-methyl-2-butenyl)benzaldehyde

> <FORMULA>
C19H28O3

> <MASS>
304.42380

> <MONOISOTOPIC_MASS>
304.20384

> <CHARGE>
0

> <SMILES>
CCCCCCCc1c(O)cc(CC=C(C)C)c(O)c1C=O

> <INCHI>
InChI=1S/C19H28O3/c1-4-5-6-7-8-9-16-17(13-20)19(22)15(12-18(16)21)11-10-14(2)3/h10,12-13,21-22H,4-9,11H2,1-3H3

> <INCHIKEY>
RGRXZGKXEJHPQQ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
523-73-9

> <CHEMIDPLUS>
523-73-9

> <PUBMED_CITATION>
21667972

$$$$