LMPK12113355
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0  0  0  0  0  0  0  0999 V2000
    7.8512    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8559    7.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5561    6.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2748    6.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2820    7.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5707    7.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7037    7.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9943    7.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1509    7.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4323    7.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4250    6.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1311    6.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4128    7.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4099    8.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6996    9.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9925    8.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1311    5.5027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5561    5.4946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9873    6.3109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7198    7.9770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7125    6.3316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6978    6.7212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8414    5.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1509    8.7933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4407    9.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2080    7.7040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6967    8.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2080    9.0556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  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  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  2  9  2  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  1  2  0  0  0  0
  7 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  8  2  0  0  0  0
 12 17  1  0  0  0  0
  3 18  2  0  0  0  0
  4 19  1  0  0  0  0
 10 20  1  0  0  0  0
 21 11  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
  9 24  1  0  0  0  0
 24 25  1  0  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 14  1  0  0  0  0
 21 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113355

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one

> <FORMULA>
C20H18O9

> <MASS>
402.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MRWINNLHVMLDLR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O9/c1-23-16-12-13(21)18(24-2)15(9-5-6-10-11(7-9)28-8-27-10)29-17(12)20(26-4)14(22)19(16)25-3/h5-7,22H,8H2,1-4H3

> <SMILES>
C12=C(OC)C(OC)=C(O)C(OC)=C1OC(C1=CC=C3OCOC3=C1)=C(OC)C2=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
188232

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11795367

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$