CDK     1030232200

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.5724   -2.4751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.6500    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
    2.8579   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435   -1.6500    0.0000 C   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
    5.7159   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    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   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159   -2.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4304   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4304   -2.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449   -2.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4290   -1.2375    0.0000 C   0  0  2  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
   -0.7145   -2.4751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435   -1.6500    0.0000 O   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 
  3  6  2  0  0  0  0 
  4  7  2  0  0  0  0 
  4  8  1  0  0  0  0 
  5  9  2  0  0  0  0 
  5 10  1  0  0  0  0 
  6 11  1  0  0  0  0 
  7 12  1  0  0  0  0 
  8 13  2  0  0  0  0 
  9 14  1  0  0  0  0 
 10 15  2  0  0  0  0 
 12 16  2  0  0  0  0 
 14 17  2  0  0  0  0 
 16 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
 20 18  1  1  0  0  0 
 20 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
 23 21  1  0  0  0  0 
 24 22  1  0  0  0  0 
 25 23  1  0  0  0  0 
 23 26  1  6  0  0  0 
 24 27  1  6  0  0  0 
 25 28  1  6  0  0  0 
  7 11  1  0  0  0  0 
 13 16  1  0  0  0  0 
 15 17  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  END
> <ID>
CHEBI:208030

> <NAME>
Daidzein-7-(2-deoxy-alpha-L-fucopyranoside)

> <STAR>
2

> <IUPAC_NAME>
7-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3-(4-hydroxyphenyl)chromen-4-one

> <FORMULA>
C21H20O7

> <MASS>
384.384

> <MONOISOTOPIC_MASS>
384.12090

> <CHARGE>
0

> <SMILES>
O=C1C(C2=CC=C(O)C=C2)=COC3=C1C=CC(=C3)O[C@@H]4O[C@H]([C@@H](O)[C@H](C4)O)C

> <INCHI>
InChI=1S/C21H20O7/c1-11-20(24)17(23)9-19(27-11)28-14-6-7-15-18(8-14)26-10-16(21(15)25)12-2-4-13(22)5-3-12/h2-8,10-11,17,19-20,22-24H,9H2,1H3/t11-,17-,19-,20+/m0/s1

> <INCHIKEY>
IJFAWAIJDFHSKQ-XTXNGSAOSA-N

$$$$