Ketcher 06121515342D 1   1.00000     0.00000     0

 20 22  0     0  0            999 V2000
   16.3931  -12.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3931  -10.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5270  -11.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5270  -12.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2591  -11.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2591  -12.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3931   -9.9609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3931  -13.9609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1251  -12.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1251  -10.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6610  -12.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6610  -10.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9911  -11.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7950  -12.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7950  -11.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9911  -12.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5892  -10.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7232  -11.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8572  -10.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1251   -9.9609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0     0  0
  6  1  1  0     0  0
  8  1  2  0     0  0
  5  2  1  0     0  0
  7  2  2  0     0  0
  3  2  1  0     0  0
 12  3  2  0     0  0
  4  3  1  0     0  0
 11  4  2  0     0  0
  6  5  2  0     0  0
 10  5  1  0     0  0
  9  6  1  0     0  0
 16  9  2  0     0  0
 13 10  2  0     0  0
 20 10  1  0     0  0
 14 11  1  0     0  0
 15 12  1  0     0  0
 16 13  1  0     0  0
 19 13  1  0     0  0
 15 14  2  0     0  0
 18 17  2  0     0  0
 19 18  1  0     0  0
M  END
> <ID>
CHEBI:85885

> <NAME>
2-allyl-1-hydroxy-9,10-anthraquinone

> <DEFINITION>
A monohydroxyanthraquinone that is 9,10-anthraquinone in which the hydrogens at positions 1 and 2 are replaced by a hydroxy and an allyl group, respectively.

> <STAR>
3

> <SYNONYM>
R162; 2-allyl-1-hydroxy-anthraquinone; 1-hydroxy-2-(prop-2'-enyl)anthraquinone; 1-hydroxy-2-(prop-2'-enyl)-9,10-anthraquinone

> <IUPAC_NAME>
2-allyl-1-hydroxy-9,10-anthraquinone

> <FORMULA>
C17H12O3

> <MASS>
264.27540

> <MONOISOTOPIC_MASS>
264.07864

> <CHARGE>
0

> <SMILES>
Oc1c(CC=C)ccc2C(=O)c3ccccc3C(=O)c12

> <INCHI>
InChI=1S/C17H12O3/c1-2-5-10-8-9-13-14(15(10)18)17(20)12-7-4-3-6-11(12)16(13)19/h2-4,6-9,18H,1,5H2

> <INCHIKEY>
IMUBGIOLZQTIGI-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
2128772

> <PUBMED_CITATION>
25670081

$$$$