LMPK12160038
  LIPID_MAPS_STRUCTURE_DATABASE

 19 21  0     0  0            999 V2000
   12.5356    8.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5442    9.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7562    9.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9596    9.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9512    8.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7390    7.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1718    9.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750    9.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5874    9.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5965   10.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7541   11.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9022   10.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8931    9.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7356    9.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.0636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1784   10.5359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3235    7.6989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0806    7.6869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2193    8.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
  1  2  1  0  0  0  0
 12 15  1  0  0  0  0
  7 16  1  0  0  0  0
 10 16  1  0  0  0  0
  1 17  1  0  0  0  0
  5 18  1  0     0  0
 18 19  1  0     0  0
M  END
> <LM_ID>
LMPK12160038

> <COMMON_NAME>
6-Demethylvignafuran

> <SYSTEMATIC_NAME>
6-Hydroxy-2-(4-hydroxy-2-methoxyphenyl)benzofuran

> <FORMULA>
C15H12O4

> <MASS>
256.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QTFMQWQJMAKEOI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H12O4/c1-18-14-8-11(17)4-5-12(14)15-6-9-2-3-10(16)7-13(9)19-15/h2-8,16-17H,1H3

> <SMILES>
C1(O)C=CC(C2OC3=CC(O)=CC=C3C=2)=C(OC)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14887925

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 118937

> <CITATION>
-

$$$$