Mrv0541 11071314572D          

 23 25  0  0  0  0            999 V2000
    4.8976   -2.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7226   -2.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4768   -1.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6435   -3.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3101   -3.7342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9768   -3.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1268   -1.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1810   -1.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6477   -1.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8810   -1.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5976   -1.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3560   -1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2269   -1.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4643   -0.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9518   -1.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6311   -0.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1893   -2.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3643   -2.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893   -0.3051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4226   -1.7301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8685    0.3908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4019   -1.0676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8593   -3.5070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8 12  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  8  2  0  0  0  0
 12 15  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15  7  1  0  0  0  0
 16 14  1  0  0  0  0
 17 18  2  0  0  0  0
 18 15  1  0  0  0  0
 19  8  1  0  0  0  0
 20 11  1  0  0  0  0
 21 14  1  0  0  0  0
 22 13  1  0  0  0  0
  5  6  1  0  0  0  0
 16 13  2  0  0  0  0
 17 11  1  0  0  0  0
  4 23  2  0  0  0  0
M  END
> <ID>
CHEBI:70167

> <NAME>
eutypoid E

> <DEFINITION>
A butenolide that is furan-2(5H)-one substituted by a 3,5-dihydroxyphenyl group at position 3 and a 3,4-dihydroxybenzyl group at position 4. It has been isolated from Penicillium species.

> <STAR>
3

> <IUPAC_NAME>
4-(3,4-dihydroxybenzyl)-3-(3,5-dihydroxyphenyl)furan-2(5H)-one

> <FORMULA>
C17H14O6

> <MASS>
314.28950

> <MONOISOTOPIC_MASS>
314.07904

> <CHARGE>
0

> <SMILES>
Oc1cc(O)cc(c1)C1=C(Cc2ccc(O)c(O)c2)COC1=O

> <INCHI>
InChI=1S/C17H14O6/c18-12-5-10(6-13(19)7-12)16-11(8-23-17(16)22)3-9-1-2-14(20)15(21)4-9/h1-2,4-7,18-21H,3,8H2

> <INCHIKEY>
BMROQCPWMNUZGZ-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
21218501

> <PUBMED_CITATION>
21126094

$$$$