31 34  0  0  1  0  0  0  0  0999 V2000
   25.3756  -23.1395    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.9667  -23.1920    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.7609  -21.7831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.8603  -24.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7842  -23.1102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5860  -24.5424    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.4750  -21.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7026  -21.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5915  -20.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7552  -25.3261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0469  -23.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3770  -25.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9185  -21.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7026  -19.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2630  -23.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0469  -25.1791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1609  -24.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3770  -26.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1275  -21.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9185  -18.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9448  -25.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1609  -27.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1275  -19.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3434  -21.7598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9448  -26.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7231  -24.5424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3434  -18.9541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5595  -21.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7231  -27.3540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5070  -25.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5638  -23.2504    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  1  6     0  0
  3  9  1  0     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  6 12  1  6     0  0
  8 13  2  0     0  0
  8 14  1  0     0  0
 11 15  1  0     0  0
 11 16  2  0     0  0
 12 17  1  0     0  0
 12 18  2  0     0  0
 13 19  1  0     0  0
 14 20  2  0     0  0
 17 21  2  0     0  0
 18 22  1  0     0  0
 19 23  2  0     0  0
 19 24  1  0     0  0
 21 25  1  0     0  0
 21 26  1  0     0  0
 23 27  1  0     0  0
 24 28  1  0     0  0
 25 29  1  0     0  0
 26 30  1  0     0  0
  6 10  1  0     0  0
  7  9  1  0     0  0
 20 23  1  0     0  0
 22 25  2  0     0  0
  2 31  1  6     0  0
M  END
> <ID>
CHEBI:582

> <NAME>
1-Acetoxypinoresinol

> <STAR>
2

> <SYNONYM>
1-Acetoxypinoresinol

> <FORMULA>
C22H24O8

> <MASS>
416.422

> <MONOISOTOPIC_MASS>
416.14712

> <CHARGE>
0

> <SMILES>
COc1cc(ccc1O)[C@H]1OC[C@@]2(OC(C)=O)[C@@H]1CO[C@@H]2c1ccc(O)c(OC)c1

> <INCHI>
InChI=1S/C22H24O8/c1-12(23)30-22-11-29-20(13-4-6-16(24)18(8-13)26-2)15(22)10-28-21(22)14-5-7-17(25)19(9-14)27-3/h4-9,15,20-21,24-25H,10-11H2,1-3H3/t15-,20-,21-,22-/m1/s1

> <INCHIKEY>
NATDFORNCKZPCI-FPHUIIFBSA-N

> <CAS_REGISTRY_NUMBER>
81426-14-4

> <KEGG_COMPOUND_ACCESSION>
C10544

> <KNAPSACK_ACCESSION>
C00002588

$$$$