ChEBI


 22 24  0  0  0  0  0  0  0  0  1 V2000
   10.9272   -7.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2341   -7.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1927   -8.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2996   -8.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9445   -7.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8859   -6.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1169   -8.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6376   -7.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8031   -9.0868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0583   -8.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3893   -6.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2514   -5.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4686   -9.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0307   -5.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4686   -9.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4272   -5.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8203  -10.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1272  -10.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8203  -11.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1272  -11.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4686  -11.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4686  -12.1765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <ID>
CHEBI:17704

> <NAME>
aspulvinone E

> <DEFINITION>
A 4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one in which the double bond adopts a Z-configuration. It is a marine metabolite isolated from the fungus Aspergillus terreus and exhibits antiviral activity.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:2891; CHEBI:13863; CHEBI:22666

> <SYNONYM>
Aspulvinone E; (5Z)-4-hydroxy-3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2(5H)-one

> <IUPAC_NAME>
(5Z)-4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one

> <FORMULA>
C17H12O5

> <MASS>
296.27418

> <MONOISOTOPIC_MASS>
296.06847

> <CHARGE>
0

> <SMILES>
Oc1ccc(cc1)\C=C1OC(=O)C(=C/1O)c1ccc(O)cc1

> <INCHI>
InChI=1S/C17H12O5/c18-12-5-1-10(2-6-12)9-14-16(20)15(17(21)22-14)11-3-7-13(19)8-4-11/h1-9,18-20H/b14-9-

> <INCHIKEY>
BNNVVTQUWNGKPH-ZROIWOOFSA-N

> <CAS_REGISTRY_NUMBER>
49637-60-7

> <KEGG_COMPOUND_ACCESSION>
C02006

> <PUBMED_CITATION>
23411074

$$$$