5249326
  CDK     1019211303

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.5080    0.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -0.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    2.8092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    2.8092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -2.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.5717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    1.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    1.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -2.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    3.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  1 10  1  0  0  0  0 
  2 16  1  0  0  0  0 
  2 24  1  0  0  0  0 
  3 15  1  0  0  0  0 
  4 22  1  0  0  0  0 
  4 25  1  0  0  0  0 
  5 20  1  0  0  0  0 
  6 23  1  0  0  0  0 
  6 26  1  0  0  0  0 
  7 22  2  0  0  0  0 
  8 23  2  0  0  0  0 
  9 11  1  0  0  0  0 
  9 13  2  0  0  0  0 
 10 14  2  0  0  0  0 
 10 16  1  0  0  0  0 
 11 15  2  0  0  0  0 
 11 22  1  0  0  0  0 
 12 13  1  0  0  0  0 
 12 17  2  0  0  0  0 
 12 21  1  0  0  0  0 
 14 18  1  0  0  0  0 
 14 23  1  0  0  0  0 
 15 17  1  0  0  0  0 
 16 19  2  0  0  0  0 
 18 20  2  0  0  0  0 
 19 20  1  0  0  0  0 
M  END
> <ID>
CHEBI:181231

> <NAME>
Methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate

> <STAR>
2

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

> <FORMULA>
C18H18O8

> <MASS>
362.334

> <MONOISOTOPIC_MASS>
362.10017

> <CHARGE>
0

> <SMILES>
O(C=1C(=C(O)C=C(C1)C)C(OC)=O)C2=C(C=C(O)C=C2OC)C(OC)=O

> <INCHI>
InChI=1S/C18H18O8/c1-9-5-12(20)15(18(22)25-4)13(6-9)26-16-11(17(21)24-3)7-10(19)8-14(16)23-2/h5-8,19-20H,1-4H3

> <INCHIKEY>
KYDNOVLBVBYOSW-UHFFFAOYSA-N

$$$$