22 25  0  0  0  0  0  0  0  0999 V2000
   26.9356  -17.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5337  -17.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6404  -16.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6189  -19.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8373  -16.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8359  -19.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0308  -16.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9411  -15.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0150  -19.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9415  -20.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5399  -15.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4301  -16.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5403  -20.2872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4389  -19.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7221  -17.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7465  -15.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.7006  -20.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7295  -17.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1233  -17.8213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1528  -15.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3275  -17.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8116  -19.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  2  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  4  9  2  0     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  5 12  1  0     0  0
  6 13  1  0     0  0
  6 14  2  0     0  0
  7 15  2  0     0  0
  7 16  1  0     0  0
  9 17  1  0     0  0
 12 18  2  0     0  0
 15 19  1  0     0  0
 16 20  1  0     0  0
 18 21  1  0     0  0
 19 22  1  0     0  0
  8 11  1  0     0  0
  9 15  1  0     0  0
 10 13  1  0     0  0
 14 18  1  0     0  0
M  END
> <ID>
CHEBI:3806

> <NAME>
Coelogin

> <STAR>
2

> <SYNONYM>
Coelogin

> <FORMULA>
C17H16O5

> <MASS>
300.307

> <MONOISOTOPIC_MASS>
300.09977

> <CHARGE>
0

> <SMILES>
COc1c(O)c2COc3cc(O)cc4CCc(c1OC)c2-c34

> <INCHI>
InChI=1S/C17H16O5/c1-20-16-10-4-3-8-5-9(18)6-12-13(8)14(10)11(7-22-12)15(19)17(16)21-2/h5-6,18-19H,3-4,7H2,1-2H3

> <INCHIKEY>
QLYYIQVXUQYKGV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
82358-31-4

> <KEGG_COMPOUND_ACCESSION>
C10251

> <KNAPSACK_ACCESSION>
C00002875

$$$$