Marvin  06021117112D          

 25 26  0  0  1  0            999 V2000
   29.5591  -12.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5591  -12.9614    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.8445  -11.7239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8445  -13.3739    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   28.1301  -12.1364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.1301  -12.9614    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   30.2735  -11.7239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.2735  -13.3739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8445  -14.1989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.4156  -13.3739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.4156  -11.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7012  -12.1364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9867  -11.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2722  -12.1365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9867  -10.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2722  -10.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2722   -9.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9868   -8.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9868   -9.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2722   -8.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5578   -8.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5578   -9.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2722   -7.1864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.7012   -8.0114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.7012   -7.1864    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  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  6  0  0  0
  4  9  1  1  0  0  0
  6 10  1  1  0  0  0
  5 11  1  1  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 17 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 17  1  0  0  0  0
 22 21  2  0  0  0  0
 20 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <ID>
CHEBI:62282

> <NAME>
6-O-(trans-feruloyl)-D-galactopyranose

> <DEFINITION>
The O-acyl carbohydrate that is D-galactopyranose trans-feruloylated at position 6.

> <STAR>
3

> <IUPAC_NAME>
6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-D-galactopyranose

> <FORMULA>
C16H20O9

> <MASS>
356.32460

> <MONOISOTOPIC_MASS>
356.11073

> <CHARGE>
0

> <SMILES>
COc1cc(\C=C\C(=O)OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@H]2O)ccc1O

> <INCHI>
InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)17)3-5-12(18)24-7-11-13(19)14(20)15(21)16(22)25-11/h2-6,11,13-17,19-22H,7H2,1H3/b5-3+/t11-,13+,14+,15-,16?/m1/s1

> <INCHIKEY>
LVNFIOGAAUPIPC-RSOBVVHTSA-N

> <PUBMED_CITATION>
15221383; 9805328

$$$$