25 29  0  0  1  0  0  0  0  0999 V2000
   26.5433  -16.2562    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.3451  -16.9342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.5603  -17.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5490  -14.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7064  -15.4263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1526  -16.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6196  -18.2845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9874  -18.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9281  -17.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3625  -14.1813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1585  -14.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9720  -16.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7941  -19.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7229  -18.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9720  -14.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7737  -16.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1618  -19.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0965  -18.3137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7737  -14.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5638  -16.9519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.1846  -20.3594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3828  -19.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5872  -14.1754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3539  -16.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7259  -17.9981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  1  5  1  6     0  0
  2  6  1  0     0  0
  2  7  1  0     0  0
  3  8  2  0     0  0
  3  9  1  0     0  0
  4 10  1  0     0  0
  6 11  2  0     0  0
  6 12  1  0     0  0
  8 13  1  0     0  0
  9 14  2  0     0  0
 11 15  1  0     0  0
 12 16  2  0     0  0
 13 17  2  0     0  0
 14 18  1  0     0  0
 15 19  2  0     0  0
 16 20  1  0     0  0
 17 21  1  0     0  0
 18 22  1  0     0  0
 19 23  1  0     0  0
 20 24  1  0     0  0
  7  8  1  0     0  0
 10 11  1  0     0  0
 14 17  1  0     0  0
 16 19  1  0     0  0
 21 22  1  0     0  0
  2 25  1  6     0  0
M  END
> <ID>
CHEBI:5718

> <NAME>
Hildecarpin

> <STAR>
2

> <SYNONYM>
Hildecarpin

> <FORMULA>
C17H14O7

> <MASS>
330.290

> <MONOISOTOPIC_MASS>
330.07395

> <CHARGE>
0

> <SMILES>
COc1cc2[C@@H]3Oc4cc5OCOc5cc4[C@]3(O)COc2cc1O

> <INCHI>
InChI=1S/C17H14O7/c1-20-13-2-8-11(4-10(13)18)21-6-17(19)9-3-14-15(23-7-22-14)5-12(9)24-16(8)17/h2-5,16,18-19H,6-7H2,1H3/t16-,17+/m0/s1

> <INCHIKEY>
DQXBSJMCLQLJKV-DLBZAZTESA-N

> <CAS_REGISTRY_NUMBER>
99624-64-3

> <KEGG_COMPOUND_ACCESSION>
C10424

> <KNAPSACK_ACCESSION>
C00002533

$$$$