19 20  0  0  0  0  0  0  0  0999 V2000
    9.3100  -16.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3100  -17.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5224  -18.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7349  -17.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7349  -16.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5224  -15.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5224  -14.4202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5224  -20.0198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9660  -18.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1712  -17.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1712  -16.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3664  -15.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9286  -15.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5928  -16.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5928  -17.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8052  -18.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0124  -17.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8047  -20.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5663  -17.1704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  6  7  1  0     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 11 13  1  0     0  0
 12 14  1  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 16 18  1  0     0  0
 13 19  1  0     0  0
 19  9  1  0     0  0
M  END
> <ID>
CHEBI:81532

> <NAME>
Dihydroshikonofuran

> <STAR>
2

> <FORMULA>
C16H20O3

> <MASS>
260.32820

> <MONOISOTOPIC_MASS>
260.14124

> <CHARGE>
0

> <SMILES>
CC(C)=CCCC1=CC(OC1)c1cc(O)ccc1O

> <INCHI>
InChI=1S/C16H20O3/c1-11(2)4-3-5-12-8-16(19-10-12)14-9-13(17)6-7-15(14)18/h4,6-9,16-18H,3,5,10H2,1-2H3

> <INCHIKEY>
RLSJCCIBFMIPMJ-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C18135

$$$$