LMPK12050274
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.2303    8.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2303    8.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9062    7.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5821    8.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5821    8.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9062    9.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2580    7.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9339    8.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9339    8.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2580    9.3418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6098    7.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6098    6.9464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3325    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0552    6.9464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0552    7.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3325    8.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2580    7.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    9.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9062    7.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3325    5.7487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2006    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7311    8.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5991    7.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7311    6.5562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7834    7.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  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  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 13 20  1  0  0  0  0
 15 22  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050274

> <COMMON_NAME>
Panchovillin

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-3',4',5'-trimethoxyisoflavone

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YFLADGILWZIDNJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O7/c1-22-14-4-9(5-15(23-2)18(14)24-3)11-8-25-13-7-10(19)6-12(20)16(13)17(11)21/h4-8,19-20H,1-3H3

> <SMILES>
C1(O)C=C(O)C2C(=O)C(C3=CC(OC)=C(OC)C(OC)=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21676203

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$