Marvin  12030709292D          

 23 24  0  0  1  0            999 V2000
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 23  1  1  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  3  4  1  0  0  0  0
  2  5  2  0  0  0  0
  6  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6 18  1  0  0  0  0
  7 23  1  1  0  0  0
 12  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8 11  1  0  0  0  0
 14  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 10  1  1  0  0  0
 11 14  1  0  0  0  0
 11 16  1  1  0  0  0
 12 13  1  6  0  0  0
 14 15  1  6  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 19 21  1  0  0  0  0
 21 20  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <ID>
CHEBI:16099

> <NAME>
4'-O-beta-D-glucosyl-cis-p-coumaric acid

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11913; CHEBI:20253; CHEBI:1735

> <SYNONYM>
(2Z)-3-[4-(beta-D-glucopyranosyloxy)phenyl]acrylic acid

> <IUPAC_NAME>
(2Z)-3-[4-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoic acid

> <FORMULA>
C15H18O8

> <MASS>
326.29862

> <MONOISOTOPIC_MASS>
326.10017

> <CHARGE>
0

> <SMILES>
OC[C@H]1O[C@@H](Oc2ccc(cc2)\C=C/C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI>
InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3-/t10-,12-,13+,14-,15-/m1/s1

> <INCHIKEY>
LJFYQZQUAULRDF-LSSWKVNRSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
7170003

> <KEGG_COMPOUND_ACCESSION>
C06739

$$$$