131751345
  CDK     0602212312

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.0063   -0.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5014   -2.3553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0939   -0.8465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079   -1.6914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2438    0.6730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2918   -1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2918   -2.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543   -0.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0063   -0.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0063   -2.5164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543   -2.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068   -1.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208   -2.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068   -2.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208   -1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2918   -0.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5638   -0.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5014   -1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -1.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1155   -0.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4188    0.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0063    1.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1813    1.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4188    2.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2438    2.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  1 21  1  0  0  0  0 
  2 13  1  0  0  0  0 
  2 19  1  0  0  0  0 
  3 12  1  0  0  0  0 
  4 19  2  0  0  0  0 
  5 21  2  0  0  0  0 
  6  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 16  1  0  0  0  0 
  7 10  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8 12  1  0  0  0  0 
  8 17  1  0  0  0  0 
  9 15  1  0  0  0  0 
 10 13  1  0  0  0  0 
 11 14  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 15 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 18 20  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
M  END
> <ID>
CHEBI:175442

> <NAME>
3b-Hydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8b-olide

> <STAR>
2

> <IUPAC_NAME>
(6-hydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[][1]benzouran-4-yl) (Z)-2-methylbut-2-enoate

> <FORMULA>
C20H28O5

> <MASS>
348.439

> <MONOISOTOPIC_MASS>
348.19367

> <CHARGE>
0

> <SMILES>
O(C1C2(C(CC3OC(=O)C(=C13)C)CCC(O)C2C)C)C(=O)/C(/C)=C\C

> <INCHI>
InChI=1S/C20H28O5/c1-6-10(2)18(22)25-17-16-11(3)19(23)24-15(16)9-13-7-8-14(21)12(4)20(13,17)5/h6,12-15,17,21H,7-9H2,1-5H3/b10-6-

> <INCHIKEY>
VHVVIDFLXPOQAK-POHAHGRESA-N

$$$$