Mrv0541 12031313232D          

 20 22  0  0  0  0            999 V2000
    5.3898  -20.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3887  -21.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1034  -21.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1016  -20.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8170  -20.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8218  -21.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6092  -21.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0911  -21.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6014  -20.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8687  -22.4924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1045  -22.7009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8517  -19.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6576  -19.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2097  -20.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0149  -19.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2659  -19.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7055  -18.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9024  -18.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0716  -18.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9530  -17.6595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  7 10  2  0  0  0  0
  5  6  1  0  0  0  0
  3 11  1  0  0  0  0
  9 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
  1  2  2  0  0  0  0
 14 15  1  0  0  0  0
  5  4  2  0  0  0  0
 15 16  2  0  0  0  0
  6  7  1  0  0  0  0
 16 17  1  0  0  0  0
  7  8  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  8  9  1  0  0  0  0
 16 19  1  0  0  0  0
  9  5  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
> <ID>
CHEBI:68139

> <NAME>
thunberginol F

> <DEFINITION>
An isobenzofuranone that is 2-benzofuran-1(3H)-one substituted by a hydroxy group at position 7 and a 3,4-dihydroxybenzylidene group at position 3. It has been isolated from the roots of  Scorzonera judaica.

> <STAR>
3

> <SYNONYM>
(Z)-3-((3,4-dihydroxyphenyl)methylene)-7-hydroxy-isobenzofuran-1(3H)-one

> <IUPAC_NAME>
(3Z)-3-(3,4-dihydroxybenzylidene)-7-hydroxy-2-benzofuran-1(3H)-one

> <FORMULA>
C15H10O5

> <MASS>
270.23690

> <MONOISOTOPIC_MASS>
270.05282

> <CHARGE>
0

> <SMILES>
Oc1cccc2\C(OC(=O)c12)=C\c1ccc(O)c(O)c1

> <INCHI>
InChI=1S/C15H10O5/c16-10-5-4-8(6-12(10)18)7-13-9-2-1-3-11(17)14(9)15(19)20-13/h1-7,16-18H/b13-7-

> <INCHIKEY>
CFXQRFYFWXTZOJ-QPEQYQDCSA-N

> <CAS_REGISTRY_NUMBER>
147666-82-8

> <REAXYS_REGISTRY_NUMBER>
6147567

> <CHEMIDPLUS>
147666-82-8

> <PUBMED_CITATION>
10465418; 21650157

$$$$