Ketcher 06042010432D 1   1.00000     0.00000     0

 21 22  0     0  0            999 V2000
   12.0756  -17.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8512  -16.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9466  -15.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8202  -17.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0427  -16.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8614  -17.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250  -17.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3064  -15.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3475  -16.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0350  -17.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7701  -17.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5863  -15.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5457  -16.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9479  -14.9826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3264  -14.7649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5287  -14.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7924  -14.0807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4876  -14.4660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1663  -17.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4116  -18.1146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3432  -18.0811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  5  4  2  0     0  0
  7  6  2  0     0  0
  8  5  1  0     0  0
  9  7  1  0     0  0
  9  8  2  0     0  0
 10  1  1  0     0  0
  2  1  2  0     0  0
 11 10  2  0     0  0
 12  2  1  0     0  0
 13 11  1  0     0  0
 13 12  2  0     0  0
  3 14  2  0     0  0
 12 15  1  0     0  0
  8 16  1  0     0  0
 16 17  1  0     0  0
 16 18  2  0     0  0
  7 19  1  0     0  0
  4 20  1  0     0  0
  1 21  1  0     0  0
M  END
> <ID>
CHEBI:64398

> <NAME>
monodictyphenone

> <DEFINITION>
A member of the class of benzophenones in which one phenyl group is substituted at positions 2 and 6 by hydroxy groups while the other is substituted at positions 2, 4, and 6 by hydroxy, methyl, and carboxy groups, respectively. First obtained from the fungal strain Monodictys putredinis, isolated from the inner tissue of a marine green alga, it was subsequently obtained from the fungus Aspergillus nidulans.

> <STAR>
3

> <IUPAC_NAME>
2-(2,6-dihydroxybenzoyl)-3-hydroxy-5-methylbenzoic acid

> <FORMULA>
C15H12O6

> <MASS>
288.255

> <MONOISOTOPIC_MASS>
288.06339

> <CHARGE>
0

> <SMILES>
C=1(C=CC=C(C1C(C2=C(C=C(C=C2C(O)=O)C)O)=O)O)O

> <INCHI>
InChI=1S/C15H12O6/c1-7-5-8(15(20)21)12(11(18)6-7)14(19)13-9(16)3-2-4-10(13)17/h2-6,16-18H,1H3,(H,20,21)

> <INCHIKEY>
UMNWQJSVQOCNEM-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
11058831

> <PUBMED_CITATION>
17291041; 19448638; 20139316; 21351751

$$$$