Mrv0541 06161413562D          

 16 17  0  0  0  0            999 V2000
    9.7652  -27.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7652  -28.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0507  -26.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0507  -28.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3363  -27.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3363  -28.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4797  -26.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1941  -27.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4797  -28.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1941  -28.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4821  -26.0813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4821  -29.3814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6066  -26.6045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0191  -27.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0191  -28.1440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6066  -28.8584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  2  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
M  END
> <ID>
CHEBI:78857

> <NAME>
2,2,3,3-tetrahydroxy-2,3-dihydronaphthalene-1,4-dione

> <DEFINITION>
A ketone hydrate that is naphthalene-1,2,3,4-tetrone in which water has been added to the keto groups at positions 2 and 3. It has been used as an antiviral agent in nasal ointment.

> <STAR>
3

> <SYNONYM>
oxoline dihydrate; oxoline; 2,3-dihydro-2,2,3,3-tetrahydroxy-1,4-naphthoquinone; 2,2,3,3-tetrahydroxy-2,3-dihydronaphthalene-1,4-dione

> <FORMULA>
C10H8O6

> <MASS>
224.16690

> <MONOISOTOPIC_MASS>
224.03209

> <CHARGE>
0

> <SMILES>
OC1(O)C(=O)c2ccccc2C(=O)C1(O)O

> <INCHI>
InChI=1S/C10H8O6/c11-7-5-3-1-2-4-6(5)8(12)10(15,16)9(7,13)14/h1-4,13-16H

> <INCHIKEY>
CWHBUPIYFIPPRI-UHFFFAOYSA-N

> <PUBMED_CITATION>
3016268; 4932223

$$$$