26 29  0  0  1  0  0  0  0  0999 V2000
   30.8788  -25.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8788  -26.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0620  -27.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2452  -26.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2452  -25.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0620  -24.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6372  -25.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6372  -26.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7508  -27.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9339  -26.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9339  -25.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7508  -24.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1316  -26.1764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.0620  -28.8908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3660  -23.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7580  -23.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5932  -23.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.0108  -25.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2452  -28.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6372  -28.2644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.1171  -24.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7508  -23.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7580  -22.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.6569  -24.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4652  -25.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6512  -23.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  5  7  1  0     0  0
  4  8  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
  7 12  1  0     0  0
  5 13  2  0     0  0
  3 14  2  0     0  0
  6 15  1  1     0  0
  6 16  1  0     0  0
 16 17  1  0     0  0
  7 17  1  6     0  0
 16 18  1  0     0  0
  4 18  1  6     0  0
  4 19  1  1     0  0
  8 20  1  1     0  0
 11 21  1  1     0  0
 12 22  1  6     0  0
 16 23  1  6     0  0
  1 24  1  0     0  0
 24 25  1  0     0  0
 24 26  1  0     0  0
M  END
> <ID>
CHEBI:81238

> <NAME>
Cinncassiol C2

> <STAR>
2

> <FORMULA>
C20H28O6

> <MASS>
364.43270

> <MONOISOTOPIC_MASS>
364.18859

> <CHARGE>
0

> <SMILES>
CC(C)C1=CC(=O)[C@]2(C)C[C@]3(O)O[C@@]4([C@H](O)[C@@H](C)CC[C@]24O)C(=O)[C@]13C

> <INCHI>
InChI=1S/C20H28O6/c1-10(2)12-8-13(21)16(4)9-19(25)17(12,5)15(23)20(26-19)14(22)11(3)6-7-18(16,20)24/h8,10-11,14,22,24-25H,6-7,9H2,1-5H3/t11-,14+,16?,17-,18-,19-,20-/m0/s1

> <INCHIKEY>
GUZTTZMSRBAQKX-NAWWXDNCSA-N

> <KEGG_COMPOUND_ACCESSION>
C17642

$$$$