LMPK12160044
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
   13.0970    7.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0978    8.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3158    9.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5332    8.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5323    7.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3144    7.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7230    9.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9404    8.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1585    9.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7237   10.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1594   10.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3486   10.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5371   10.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5365    9.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3470    8.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7255    8.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0006    7.0651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4205    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6080   10.3023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605   11.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0258    7.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5673    6.4575    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
 21 22  1  0  0  0  0
  1  2  1  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
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 10  1  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  9  1  0  0  0  0
 14 16  1  0  0  0  0
  5 17  1  0  0  0  0
 13 19  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160044

> <COMMON_NAME>
Methylsainfuran

> <SYSTEMATIC_NAME>
2-(2',4'-Dimethoxyphenyl)-5-hydroxy-6-methoxybenzofuran

> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XHPVKSBYQJUMTF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H16O5/c1-19-11-4-5-12(15(8-11)20-2)16-7-10-6-13(18)17(21-3)9-14(10)22-16/h4-9,18H,1-3H3

> <SMILES>
C1(OC)=CC(OC)=C(C2OC3C=C(OC)C(O)=CC=3C=2)C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44260111

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3882

> <CITATION>
-

$$$$