Mrv0541 01081414532D          

 19 21  0  0  0  0            999 V2000
   12.0333  -21.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0321  -22.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7471  -22.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7453  -21.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4607  -21.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4596  -22.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1726  -22.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750  -21.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8926  -21.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8909  -22.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6033  -22.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3179  -22.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3156  -21.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6026  -21.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750  -20.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1720  -23.5197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0288  -21.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0262  -20.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0328  -22.6923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0
  4  1  1  0  0  0  0
  9 10  2  0  0  0  0
  5  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  2  3  1  0  0  0  0
 12 13  1  0  0  0  0
  3  6  2  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  1  2  2  0  0  0  0
  8 15  2  0  0  0  0
  5  8  1  0  0  0  0
  7 16  2  0  0  0  0
  6  7  1  0  0  0  0
 13 17  1  0  0  0  0
  7 10  1  0  0  0  0
 17 18  1  0  0  0  0
  9  8  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
> <ID>
CHEBI:69520

> <NAME>
3-hydroxy-2-hydroxymethyl-9,10-anthraquinone

> <DEFINITION>
A monohydroxyanthraquinone that is 9,10-anthraquinone substituted by a hydroxy group at position 2 and a hydroxymethyl group at position 3. It has been isolated from the roots of Rubia yunnanensis.

> <STAR>
3

> <IUPAC_NAME>
2-hydroxy-3-(hydroxymethyl)anthracene-9,10-dione

> <FORMULA>
C15H10O4

> <MASS>
254.23750

> <MONOISOTOPIC_MASS>
254.05791

> <CHARGE>
0

> <SMILES>
OCc1cc2C(=O)c3ccccc3C(=O)c2cc1O

> <INCHI>
InChI=1S/C15H10O4/c16-7-8-5-11-12(6-13(8)17)15(19)10-4-2-1-3-9(10)14(11)18/h1-6,16-17H,7H2

> <INCHIKEY>
LMXDYBJTJGPZPD-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
1988488

> <PUBMED_CITATION>
21973054

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