Marvin  03191314262D          

 17 19  0  0  0  0            999 V2000
    3.5160  -10.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8013  -10.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8013   -9.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5160   -8.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2306   -9.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2306  -10.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5160  -11.3331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9431   -8.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7899   -9.6652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0400  -10.4487    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3778  -10.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7120  -10.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9627   -9.6648    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3736   -8.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4572  -11.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1588   -9.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2973   -9.1797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  1  0  0  0
  9 16  1  1  0  0  0
 13 17  1  1  0  0  0
 10  2  1  0  0  0  0
M  END
> <ID>
CHEBI:66556

> <NAME>
debromolaurinterol

> <DEFINITION>
A sesquiterpenoid that is laurinterol in which the bromo group has been replaced by a hydrogen. Isolated from Laurencia intermedia and Aplysia kurodai, it exhibits antimicrobial activity.

> <STAR>
3

> <IUPAC_NAME>
2-[(1S,2R,5R)-1,2-dimethylbicyclo[3.1.0]hex-2-yl]-5-methylphenol

> <FORMULA>
C15H20O

> <MASS>
216.31870

> <MONOISOTOPIC_MASS>
216.15142

> <CHARGE>
0

> <SMILES>
[H][C@]12CC[C@@](C)(c3ccc(C)cc3O)[C@@]1(C)C2

> <INCHI>
InChI=1S/C15H20O/c1-10-4-5-12(13(16)8-10)14(2)7-6-11-9-15(11,14)3/h4-5,8,11,16H,6-7,9H2,1-3H3/t11-,14+,15+/m1/s1

> <INCHIKEY>
XQATUTRQDIODTL-UGFHNGPFSA-N

> <REAXYS_REGISTRY_NUMBER>
2050843

> <PUBMED_CITATION>
11302194; 1137385

$$$$