CDK     1030232200

 24 24  0  0  0  0  0  0  0  0999 V2000
    6.4302    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  2  4  2  0  0  0  0 
  2  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  2  0  0  0  0 
  6  9  1  0  0  0  0 
  6 10  2  0  0  0  0 
  7 11  1  0  0  0  0 
  8 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 11 14  2  0  0  0  0 
 12 15  1  0  0  0  0 
 13 16  1  0  0  0  0 
 14 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
 19 17  1  0  0  0  0 
 19 20  1  1  0  0  0 
 19 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
  8 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:208884

> <NAME>
Hericenol B

> <STAR>
2

> <IUPAC_NAME>
2-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienyl]-5,6-bis(hydroxymethyl)-3-methoxyphenol

> <FORMULA>
C19H28O5

> <MASS>
336.428

> <MONOISOTOPIC_MASS>
336.19367

> <CHARGE>
0

> <SMILES>
O(C1=C(C(O)=C(CO)C(=C1)CO)C/C=C(/C[C@H](O)C=C(C)C)\C)C

> <INCHI>
InChI=1S/C19H28O5/c1-12(2)7-15(22)8-13(3)5-6-16-18(24-4)9-14(10-20)17(11-21)19(16)23/h5,7,9,15,20-23H,6,8,10-11H2,1-4H3/b13-5+/t15-/m1/s1

> <INCHIKEY>
NUADKMXSGRUIPF-DTHCKZEYSA-N

$$$$