CDK     1018121544

 18 19  0  0  0  0  0  0  0  0999 V2000
   24.7313   -4.4944    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.7354   -5.3153    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.5190   -5.5640    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.0181   -5.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5149   -4.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0181   -4.0755    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.7761   -6.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0041   -4.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3050   -5.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5846   -6.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0181   -6.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3050   -4.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7271   -3.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4096   -6.5134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0181   -3.2505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.8499   -7.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1359   -5.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7313   -6.1403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  3  2  1  0  0  0  0 
  4  2  1  0  0  0  0 
  5  1  1  0  0  0  0 
  6  1  1  0  0  0  0 
  3  7  1  6  0  0  0 
  8  5  1  0  0  0  0 
  9  4  1  0  0  0  0 
 10  7  1  0  0  0  0 
 11  4  2  0  0  0  0 
 12  6  1  0  0  0  0 
  1 13  1  1  0  0  0 
 14 10  1  0  0  0  0 
  6 15  1  1  0  0  0 
 16 10  1  0  0  0  0 
 17 10  1  0  0  0  0 
  2 18  1  6  0  0  0 
  9 12  1  0  0  0  0 
  8  3  1  0  0  0  0 
M  END
> <ID>
CHEBI:69848

> <NAME>
oppsit-4(15)-ene-1beta,11-diol

> <DEFINITION>
A natural product found in Sanicula lamelligera. 

> <STAR>
2

> <SYNONYM>
(1R,3aR,4R,7aS)-1-(2-Hydroxy-2-methylpropyl)-3a-methyl-7-methyleneoctahydro-1H-inden-4-ol

> <FORMULA>
C15H26O2

> <MASS>
238.36570

> <MONOISOTOPIC_MASS>
238.19328

> <CHARGE>
0

> <SMILES>
[H][C@@]12[C@H](CC[C@@]1(C)[C@H](O)CCC2=C)CC(C)(C)O

> <INCHI>
InChI=1S/C15H26O2/c1-10-5-6-12(16)15(4)8-7-11(13(10)15)9-14(2,3)17/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,15+/m1/s1

> <INCHIKEY>
UACKNRNYUIAHPT-BHPKHCPMSA-N

> <PUBMED_CITATION>
21561060

$$$$