CDK     1018121543

 19 21  0  0  0  0  0  0  0  0999 V2000
    7.7326   -9.9069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4518   -9.4924    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0112  -10.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0199   -8.6701    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0199   -9.4990    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2369   -9.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3006   -9.0780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4496   -8.6701    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7215   -9.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2324   -8.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7326   -8.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7962  -11.1150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4956  -10.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0264   -7.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5460   -9.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -9.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4409   -7.8455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7326  -10.7357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4430  -10.3213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  1  1  0  0  0  0 
  6  2  1  0  0  0  0 
  7  3  1  0  0  0  0 
  8  2  1  0  0  0  0 
  9  6  1  0  0  0  0 
 10  8  1  0  0  0  0 
 11  8  1  0  0  0  0 
 12  3  2  0  0  0  0 
  1 18  1  6  0  0  0 
 13  6  2  0  0  0  0 
  2 19  1  6  0  0  0 
  4 14  1  6  0  0  0 
 15  9  1  0  0  0  0 
  5 16  1  6  0  0  0 
  8 17  1  6  0  0  0 
  7  4  1  0  0  0  0 
 11  4  1  0  0  0  0 
 10  9  2  0  0  0  0 
  2  1  1  0  0  0  0 
M  END
> <ID>
CHEBI:69186

> <NAME>
Acremostrictin, rel-

> <DEFINITION>
A natural product found in Acremonium strictum. 

> <STAR>
2

> <FORMULA>
C13H16O5

> <MASS>
252.26310

> <MONOISOTOPIC_MASS>
252.09977

> <CHARGE>
0

> <SMILES>
[H][C@@]12C[C@]3(C)OC(=O)[C@@](O)([C@@H]3C)[C@]1(O)C(=O)C(C)=C2

> <INCHI>
InChI=1S/C13H16O5/c1-6-4-8-5-11(3)7(2)12(16,10(15)18-11)13(8,17)9(6)14/h4,7-8,16-17H,5H2,1-3H3/t7-,8-,11+,12+,13-/m1/s1

> <INCHIKEY>
NPMJPMBCGOWCAJ-NNXOGTOISA-N

> <PUBMED_CITATION>
22136576

$$$$