Ketcher 10171815252D 1   1.00000     0.00000     0

 21 23  0     0  0            999 V2000
   -2.5375    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6715    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6715   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4035   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4035    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8054    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0606    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0606   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8055   -0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8054    2.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0606    2.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9266    2.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9266    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9266   -0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7927    0.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0606    3.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2695   -0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9266    4.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2695    1.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  2  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14  8  1  0     0  0
  9 15  2  0     0  0
 14 16  1  0     0  0
 12 17  1  0     0  0
  5 18  1  0     0  0
 17 19  1  0     0  0
  1 20  1  0     0  0
  6 21  1  0     0  0
M  END
> <ID>
CHEBI:141334

> <NAME>
palmariol B

> <DEFINITION>
A benzochromenone that is 6H-benzo[c]chromen-6-one which is substituted by a methyl group at position 1, chloro group at position 2, hydroxy groups at positions positions 3 and 7, and by a methoxy group at position 9.

> <STAR>
3

> <SYNONYM>
2-chloro-3,7-dihydroxy-9-methoxy-1-methyl-6H-dibenzo[b,d]pyran-6-one

> <IUPAC_NAME>
2-chloro-3,7-dihydroxy-9-methoxy-1-methyl-6H-benzo[c]chromen-6-one

> <FORMULA>
C15H11ClO5

> <MASS>
306.698

> <MONOISOTOPIC_MASS>
306.02950

> <CHARGE>
0

> <SMILES>
C=1(C2=C(C=C(C1Cl)O)OC(C3=C2C=C(C=C3O)OC)=O)C

> <INCHI>
InChI=1S/C15H11ClO5/c1-6-12-8-3-7(20-2)4-9(17)13(8)15(19)21-11(12)5-10(18)14(6)16/h3-5,17-18H,1-2H3

> <INCHIKEY>
WMOJBLDBGQOTOS-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
21206504

> <PUBMED_CITATION>
23011274; 27441892

$$$$