15 15  0  0  0  0  0  0  0  0999 V2000
   23.0404  -18.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0404  -19.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2697  -20.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4918  -19.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4918  -18.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2697  -17.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8103  -20.1790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2562  -21.6022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.7092  -20.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2562  -15.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4791  -15.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6234  -15.9166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0260  -15.2301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.7820  -15.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9406  -15.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  3  8  1  0     0  0
  2  3  1  0     0  0
  4  9  1  0     0  0
  3  4  2  0     0  0
  6 10  1  0     0  0
  4  5  1  0     0  0
 10 11  1  0     0  0
  5  6  2  0     0  0
 11 12  1  0     0  0
  6  1  1  0     0  0
 10 13  2  0     0  0
 12 14  1  0     0  0
  2  7  1  0     0  0
 14 15  1  0     0  0
M  END
> <ID>
CHEBI:10607

> <NAME>
n-propyl gallate

> <STAR>
2

> <SYNONYM>
Propyl gallate; n-Propyl gallate

> <FORMULA>
C10H12O5

> <MASS>
212.200

> <MONOISOTOPIC_MASS>
212.06847

> <CHARGE>
0

> <SMILES>
CCCOC(=O)c1cc(O)c(O)c(O)c1

> <INCHI>
InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3

> <INCHIKEY>
ZTHYODDOHIVTJV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
121-79-9

> <KEGG_COMPOUND_ACCESSION>
C11155

> <KEGG_DRUG_ACCESSION>
D02382

$$$$