21 23  0  0  0  0  0  0  0  0999 V2000
   21.9224  -15.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9283  -14.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2564  -15.9744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7229  -16.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2681  -13.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7229  -13.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0873  -14.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5059  -15.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5059  -14.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4857  -14.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2947  -16.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2947  -13.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1761  -16.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1821  -13.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0835  -15.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5747  -15.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4682  -17.2734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5864  -13.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2768  -14.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6811  -14.8686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3716  -16.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  4  8  2  0     0  0
  6  9  2  0     0  0
  7 10  1  0     0  0
  8 11  1  0     0  0
  9 12  1  0     0  0
 10 13  2  0     0  0
 10 14  1  0     0  0
 11 15  1  0     0  0
 13 16  1  0     0  0
 13 17  1  0     0  0
 14 18  2  0     0  0
 16 19  2  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
  5  7  2  0     0  0
  8  9  1  0     0  0
 18 19  1  0     0  0
M  END
> <ID>
CHEBI:8998

> <NAME>
sainfuran

> <STAR>
2

> <SYNONYM>
Sainfuran

> <FORMULA>
C16H14O5

> <MASS>
286.280

> <MONOISOTOPIC_MASS>
286.08412

> <CHARGE>
0

> <SMILES>
COc1ccc(-c2cc3cc(O)c(OC)cc3o2)c(O)c1

> <INCHI>
InChI=1S/C16H14O5/c1-19-10-3-4-11(12(17)7-10)15-6-9-5-13(18)16(20-2)8-14(9)21-15/h3-8,17-18H,1-2H3

> <INCHIKEY>
BVSPXSLCUKWRNP-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
90664-32-7

> <KEGG_COMPOUND_ACCESSION>
C08974

> <KNAPSACK_ACCESSION>
C00002409

$$$$