Mrv0541 04131510192D          

 21 23  0  0  1  0            999 V2000
   11.1130   -4.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9467   -3.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1633   -3.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5485   -3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7225   -4.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5058   -4.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7671   -3.6782    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5122   -2.8935    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6872   -2.8935    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4322   -3.6783    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0997   -4.1630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6324   -3.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0672   -3.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2649   -3.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0265   -4.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5967   -4.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3970   -4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2237   -4.4349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8973   -4.7009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9971   -2.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2022   -2.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
  7  4  1  1  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
 12 13  2  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
  1  2  2  0  0  0  0
 14 15  2  0  0  0  0
  3  4  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 10 12  1  6  0  0  0
  4  5  1  0  0  0  0
 15 18  1  0  0  0  0
  2  3  1  0  0  0  0
  1 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  1  0  0  0
  9 10  1  0  0  0  0
  9 21  1  1  0  0  0
M  END
> <ID>
CHEBI:69246

> <NAME>
(-)-larreatricin

> <DEFINITION>
A  lignan that consists of a 3,4-dimethyloxolane ring substituted by 4-hydroxyphenyl groups at positions 2 and 5 respectively (the 2S,3R,4S,5S-stereoisomer). Isolated from the roots of Krameria lappacea, it exhibits anti-inflammatory activity.

> <STAR>
3

> <IUPAC_NAME>
4,4'-[(2S,3R,4S,5S)-3,4-dimethyloxolane-2,5-diyl]diphenol

> <FORMULA>
C18H20O3

> <MASS>
284.34960

> <MONOISOTOPIC_MASS>
284.14124

> <CHARGE>
0

> <SMILES>
C[C@H]1[C@@H](C)[C@H](O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1

> <INCHI>
InChI=1S/C18H20O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-12,17-20H,1-2H3/t11-,12+,17-,18-/m0/s1

> <INCHIKEY>
PIBJADPEZQHMQS-CMKMFDCUSA-N

> <REAXYS_REGISTRY_NUMBER>
4236154

> <PUBMED_CITATION>
21800856

$$$$