LMPK12160036
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
    9.4312    8.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4312    7.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6426    7.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8540    7.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8540    8.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6426    9.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7842    8.7395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8021    7.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0429    7.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5907    7.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3664    7.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1424    7.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1424    6.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3664    6.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5907    6.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9310    6.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9437    8.7597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5907    7.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8523    8.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  8 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 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
  5 17  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160036

> <COMMON_NAME>
Vignafuran

> <SYSTEMATIC_NAME>
2-(4-Hydroxy-2-methoxyphenyl)-6-methoxybenzofuran

> <FORMULA>
C16H14O4

> <MASS>
270.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YCDZKMJZSGRQML-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H14O4/c1-18-12-5-3-10-7-16(20-14(10)9-12)13-6-4-11(17)8-15(13)19-2/h3-9,17H,1-2H3

> <SMILES>
C12OC(C3C(OC)=CC(O)=CC=3)=CC=1C=CC(OC)=C2

> <KEGG_ID>
C08993

> <HMDB_ID>
HMDB0033940

> <CHEBI_ID>
9980

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
441958

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3917

> <CITATION>
-

$$$$