CDK     1018121544

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.4763   -5.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7608   -4.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7608   -4.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4763   -6.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4763   -3.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1894   -4.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1916   -4.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7608   -6.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1916   -6.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7608   -7.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0433   -3.7426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0497   -5.3991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1894   -7.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4763   -2.9176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4763   -7.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0433   -6.2219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9070   -7.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6181   -7.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6181   -6.6365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9006   -3.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0433   -2.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3321   -4.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6159   -4.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6159   -4.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9039   -6.2219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2002   -5.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0 
  4  1  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  1  1  0  0  0  0 
  7  6  2  0  0  0  0 
  4  8  2  0  0  0  0 
  4  9  1  6  0  0  0 
 10  8  1  0  0  0  0 
 11  2  1  0  0  0  0 
 12  3  1  0  0  0  0 
 13  9  2  0  0  0  0 
 14  5  1  0  0  0  0 
 15 10  2  0  0  0  0 
 16  8  1  0  0  0  0 
 17 13  1  0  0  0  0 
 18 17  1  0  0  0  0 
 19 18  1  0  0  0  0 
 20  7  1  0  0  0  0 
 21 11  1  0  0  0  0 
 22 12  1  0  0  0  0 
 23 20  1  0  0  0  0 
 24 23  1  0  0  0  0 
  2  5  2  0  0  0  0 
 13 15  1  0  0  0  0 
 19 25  1  1  0  0  0 
  2  3  1  0  0  0  0 
 24 26  1  0  0  0  0 
 19 26  1  0  0  0  0 
M  END
> <ID>
CHEBI:70081

> <NAME>
(+)-aR,11S-Myricanol

> <DEFINITION>
A natural product found in Myrica cerifera. 

> <STAR>
2

> <SYNONYM>
(9S)-16,17-Dimethoxytricyclo[12.3.1.1(2,6)]nonadeca1(18),2(19),3,5,14,16-hexaene-3,9,15-triol

> <FORMULA>
C21H26O5

> <MASS>
358.42810

> <MONOISOTOPIC_MASS>
358.17802

> <CHARGE>
0

> <SMILES>
COc1c(O)c2CCCC[C@H](O)CCc3ccc(O)c(c3)-c(c2)c1OC

> <INCHI>
InChI=1S/C21H26O5/c1-25-20-17-12-14(19(24)21(20)26-2)5-3-4-6-15(22)9-7-13-8-10-18(23)16(17)11-13/h8,10-12,15,22-24H,3-7,9H2,1-2H3/t15-/m0/s1

> <INCHIKEY>
SBGBAZQAEOWGFT-HNNXBMFYSA-N

> <PUBMED_CITATION>
21141876

$$$$