CDK     1030232202

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.8579   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    2.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    3.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.4751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014    2.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4304    2.4751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  2  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
  9 13  1  0  0  0  0 
 10 14  2  0  0  0  0 
 13 15  2  0  0  0  0 
 13 16  1  0  0  0  0 
 14 17  1  0  0  0  0 
 15 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 16 21  2  0  0  0  0 
 18 22  1  0  0  0  0 
 19 23  2  0  0  0  0 
 20 24  2  0  0  0  0 
 20 25  1  0  0  0  0 
 23 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 12 14  1  0  0  0  0 
 21 23  1  0  0  0  0 
M  END
> <ID>
CHEBI:221028

> <NAME>
ethyl asterrate

> <STAR>
2

> <IUPAC_NAME>
ethyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate

> <FORMULA>
C19H20O8

> <MASS>
376.361

> <MONOISOTOPIC_MASS>
376.11582

> <CHARGE>
0

> <SMILES>
O=C(OCC)C1=C(OC2=C(OC)C=C(O)C=C2C(=O)OC)C=C(C)C=C1O

> <INCHI>
InChI=1S/C19H20O8/c1-5-26-19(23)16-13(21)6-10(2)7-14(16)27-17-12(18(22)25-4)8-11(20)9-15(17)24-3/h6-9,20-21H,5H2,1-4H3

> <INCHIKEY>
JIPGWTAQJPIOCX-UHFFFAOYSA-N

$$$$