bhos#9(1-)
  CDK     0207182330

 18 18  0  0  0  0  0  0  0  0999 V2000
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0 
  2  3  1  0  0  0  0 
  4  3  1  0  0  0  0 
  4  5  1  1  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  8  7  1  0  0  0  0 
  8  9  1  6  0  0  0 
  8 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 11 13  2  0  0  0  0 
  4 14  1  0  0  0  0 
 14 15  1  6  0  0  0 
 14 16  1  0  0  0  0 
 17 16  1  0  0  0  0 
  2 17  1  0  0  0  0 
 17 18  1  1  0  0  0 
M  CHG  1  12  -1
M  END
> <ID>
CHEBI:139824

> <NAME>
bhos#9(1-)

> <DEFINITION>
Conjugate base of bhos#9

> <STAR>
2

> <FORMULA>
C11H19O7

> <MASS>
263.265

> <MONOISOTOPIC_MASS>
263.11363

> <CHARGE>
-1

> <SMILES>
C[C@@H]1O[C@@H](OCC[C@@H](O)CC([O-])=O)[C@H](O)C[C@H]1O

> <INCHI>
InChI=1S/C11H20O7/c1-6-8(13)5-9(14)11(18-6)17-3-2-7(12)4-10(15)16/h6-9,11-14H,2-5H2,1H3,(H,15,16)/p-1/t6-,7+,8+,9+,11+/m0/s1

> <INCHIKEY>
IXUHVZDKEBBSDJ-UFFKNHFXSA-M

$$$$