14237706
  CDK     0602212312

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.6451   -1.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2262    1.2159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1768   -0.2273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1768   -1.5551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9205    0.9236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9506   -0.4113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7846   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5383   -0.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2326   -0.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4521   -1.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2528   -0.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6131    0.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4121   -0.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9672   -0.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0766    0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9272   -1.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6818   -0.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9672   -1.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2560    0.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3962   -0.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1067   -1.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6818   -1.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3962   -1.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7712   -0.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6583   -0.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  1 10  1  0  0  0  0 
  2 12  1  0  0  0  0 
  3 20  1  0  0  0  0 
  3 25  1  0  0  0  0 
  4 23  1  0  0  0  0 
  4 25  1  0  0  0  0 
  5 19  1  0  0  0  0 
  5 26  1  0  0  0  0 
  6 24  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  7 12  1  0  0  0  0 
  8 10  1  0  0  0  0 
  8 11  1  0  0  0  0 
  9 13  1  0  0  0  0 
 11 14  1  0  0  0  0 
 13 15  2  0  0  0  0 
 13 16  1  0  0  0  0 
 14 17  2  0  0  0  0 
 14 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 16 21  2  0  0  0  0 
 17 20  1  0  0  0  0 
 18 22  2  0  0  0  0 
 19 24  2  0  0  0  0 
 20 23  2  0  0  0  0 
 21 24  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  END
> <ID>
CHEBI:175604

> <NAME>
Sanshodiol

> <STAR>
2

> <IUPAC_NAME>
4-[4-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol

> <FORMULA>
C20H22O6

> <MASS>
358.390

> <MONOISOTOPIC_MASS>
358.14164

> <CHARGE>
0

> <SMILES>
O1C(C(C(C1)CC2=CC=3OCOC3C=C2)CO)C4=CC(OC)=C(O)C=C4

> <INCHI>
InChI=1S/C20H22O6/c1-23-18-8-13(3-4-16(18)22)20-15(9-21)14(10-24-20)6-12-2-5-17-19(7-12)26-11-25-17/h2-5,7-8,14-15,20-22H,6,9-11H2,1H3

> <INCHIKEY>
GRYMYKQGSSTJBA-UHFFFAOYSA-N

$$$$