31 33  0  0  1  0  0  0  0  0999 V2000
   23.5990  -21.1092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7427  -21.9263    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.3056  -23.2646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.8983  -23.2600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.4662  -21.9277    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.0719  -21.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1104  -24.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8326  -26.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1397  -25.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8414  -24.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2407  -24.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9408  -25.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2345  -26.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3464  -25.6963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1365  -28.1169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7429  -25.6810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0404  -26.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7370  -28.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0358  -26.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8332  -23.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1402  -21.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8422  -20.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2475  -20.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9475  -21.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2351  -23.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9367  -24.3550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3408  -21.9365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3457  -24.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1507  -19.4994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.8611  -18.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0313  -23.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13  8  1  0     0  0
 14 17  1  0     0  0
 15 18  1  0     0  0
 16 19  1  0     0  0
  4 11  1  6     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  1  1  0     0  0
  5  6  1  6     0  0
  3  7  1  1     0  0
  1  2  1  0     0  0
 12 14  1  0     0  0
  8 15  1  0     0  0
  8  9  2  0     0  0
 23 24  1  0     0  0
 24 25  2  0     0  0
 25 26  1  0     0  0
 24 27  1  0     0  0
 26 28  1  0     0  0
 22 29  1  0     0  0
 25 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 29 30  1  0     0  0
  2 21  1  6     0  0
  9 16  1  0     0  0
 27 31  1  0     0  0
M  END
> <ID>
CHEBI:6644

> <NAME>
Magnosalicin

> <STAR>
2

> <SYNONYM>
Magnosalicin

> <FORMULA>
C24H32O7

> <MASS>
432.508

> <MONOISOTOPIC_MASS>
432.21480

> <CHARGE>
0

> <SMILES>
COc1cc(OC)c(cc1OC)[C@H]1O[C@@H](C)[C@H]([C@@H]1C)c1cc(OC)c(OC)cc1OC

> <INCHI>
InChI=1S/C24H32O7/c1-13-23(15-9-19(27-5)21(29-7)11-17(15)25-3)14(2)31-24(13)16-10-20(28-6)22(30-8)12-18(16)26-4/h9-14,23-24H,1-8H3/t13-,14-,23-,24-/m0/s1

> <INCHIKEY>
XCWBENSTFQIQNV-NHCASCSRSA-N

> <CAS_REGISTRY_NUMBER>
93376-03-5

> <KEGG_COMPOUND_ACCESSION>
C10657

> <KNAPSACK_ACCESSION>
C00002612

$$$$