13 15  0  0  1  0  0  0  0  0999 V2000
   19.9500  -20.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9500  -22.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1624  -23.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3749  -22.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3749  -20.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1624  -20.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1624  -24.4298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7376  -21.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5251  -20.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5251  -22.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3749  -19.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7749  -22.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0749  -23.5424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  3  7  2  0     0  0
  1  8  1  1     0  0
  2  8  1  1     0  0
  8  9  1  0     0  0
  8 10  1  0     0  0
  6 11  1  6     0  0
  5 11  1  6     0  0
  4 12  1  1     0  0
  4 13  1  6     0  0
M  END
> <ID>
CHEBI:81357

> <NAME>
(+/-)-Asarinol B

> <STAR>
2

> <FORMULA>
C10H14O3

> <MASS>
182.21640

> <MONOISOTOPIC_MASS>
182.09429

> <CHARGE>
0

> <SMILES>
CC1(C)[C@H]2[C@@H]3O[C@@H]3[C@](C)(O)C(=O)[C@@H]12

> <INCHI>
InChI=1S/C10H14O3/c1-9(2)4-5(9)7(11)10(3,12)8-6(4)13-8/h4-6,8,12H,1-3H3/t4-,5+,6+,8+,10-/m1/s1

> <INCHIKEY>
SCGLOUANVXWSOO-OKTXDSFISA-N

> <KEGG_COMPOUND_ACCESSION>
C17825

$$$$