21 23  0  0  0  0  0  0  0  0999 V2000
   24.5719  -18.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5778  -17.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9000  -18.9739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3668  -19.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3668  -16.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9117  -16.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7308  -17.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1499  -18.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1499  -17.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3668  -15.0307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.1290  -17.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9389  -19.2313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1557  -14.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8194  -19.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8311  -16.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7278  -18.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2176  -19.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2293  -16.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9256  -17.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9139  -20.2844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.9373  -15.4344    0.0000 O   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
  5  9  2  0     0  0
  5 10  1  0     0  0
  7 11  1  0     0  0
  8 12  1  0     0  0
 10 13  1  0     0  0
 11 14  1  0     0  0
 11 15  2  0     0  0
 12 16  1  0     0  0
 14 17  2  0     0  0
 15 18  1  0     0  0
 17 19  1  0     0  0
 17 20  1  0     0  0
 18 21  1  0     0  0
  6  7  2  0     0  0
  8  9  1  0     0  0
 18 19  2  0     0  0
M  END
> <ID>
CHEBI:6994

> <NAME>
Moracin A

> <STAR>
2

> <SYNONYM>
Moracin A

> <FORMULA>
C16H14O5

> <MASS>
286.280

> <MONOISOTOPIC_MASS>
286.08412

> <CHARGE>
0

> <SMILES>
COc1cc(OC)c2cc(oc2c1)-c1cc(O)cc(O)c1

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

> <INCHIKEY>
DCCBMAKQGXCAQH-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
67259-17-0

> <KEGG_COMPOUND_ACCESSION>
C08844

> <KNAPSACK_ACCESSION>
C00002403

$$$$