4485133
  CDK     0510212310

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.8410    0.0293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3728    0.0293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1106    1.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5396    1.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2021    2.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3019   -3.4312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3062    3.8353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9165   -3.7715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1106    0.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1106   -0.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3260    0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8912   -0.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8912    0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3260   -0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0710    1.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1475   -1.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2640    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6231    2.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5966   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9548   -1.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250    1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0091    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8528   -2.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3681    2.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2112   -2.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250    2.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611    3.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6601   -2.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5581   -4.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0 
  1 14  1  0  0  0  0 
  2 12  1  0  0  0  0 
  2 13  1  0  0  0  0 
  3  9  1  0  0  0  0 
  3 21  1  0  0  0  0 
  4 21  2  0  0  0  0 
  5 22  1  0  0  0  0 
  5 29  1  0  0  0  0 
  6 23  1  0  0  0  0 
  6 30  1  0  0  0  0 
  7 27  1  0  0  0  0 
  8 28  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
  9 13  1  0  0  0  0 
 10 12  1  0  0  0  0 
 10 14  1  0  0  0  0 
 11 15  1  0  0  0  0 
 12 16  1  0  0  0  0 
 15 17  2  0  0  0  0 
 15 18  1  0  0  0  0 
 16 19  2  0  0  0  0 
 16 20  1  0  0  0  0 
 17 22  1  0  0  0  0 
 18 24  2  0  0  0  0 
 19 23  1  0  0  0  0 
 20 25  2  0  0  0  0 
 21 26  1  0  0  0  0 
 22 27  2  0  0  0  0 
 23 28  2  0  0  0  0 
 24 27  1  0  0  0  0 
 25 28  1  0  0  0  0 
M  END
> <ID>
CHEBI:172658

> <NAME>
8-Acetoxypinoresinol

> <STAR>
2

> <IUPAC_NAME>
[3,6-bis(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-uro[3,4-c]uran-3a-yl] acetate

> <FORMULA>
C22H24O8

> <MASS>
416.426

> <MONOISOTOPIC_MASS>
416.14712

> <CHARGE>
0

> <SMILES>
O1C(C2(OC(=O)C)C(C(OC2)C3=CC(OC)=C(O)C=C3)C1)C4=CC(OC)=C(O)C=C4

> <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

> <INCHIKEY>
NATDFORNCKZPCI-UHFFFAOYSA-N

$$$$