LMPK12113058
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    8.1066    9.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1066    8.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9009    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    8.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    9.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9009    9.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4898    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2841    8.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2841    9.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4898    9.8179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4898    7.0487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0935    9.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9030    9.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7127    9.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7127   10.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9030   11.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0935   10.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2841   11.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5219    9.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5219   11.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5422   10.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    9.8264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972   11.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    7.9746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0935    7.9746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3301    8.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9009    7.0487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6643    6.3348    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
 26 27  1  0  0  0  0
 28 29  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  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
  7 11  2  0  0  0  0
  9 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
  2 24  1  0  0  0  0
  8 26  1  0  0  0  0
  3 28  1  0  0  0  0
 15 20  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113058

> <COMMON_NAME>
Apulein

> <SYSTEMATIC_NAME>
2',5'-dihydroxy-3,5,6,7,4'-pentamethoxyflavone

> <FORMULA>
C20H20O9

> <MASS>
404.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-(2,5-Dihydroxy-4-methoxyphenyl)-3,5,6,7-tetramethoxy-4H-1-benzopyran-4-one

> <INCHI_KEY>
GSDPDMPAMXKDMZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O9/c1-24-12-7-10(21)9(6-11(12)22)17-20(28-5)16(23)15-13(29-17)8-14(25-2)18(26-3)19(15)27-4/h6-8,21-22H,1-5H3

> <SMILES>
C1(OC)=CC2OC(C3C(O)=CC(OC)=C(O)C=3)=C(OC)C(=O)C=2C(OC)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21637667

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53829

> <CITATION>
-

$$$$