LMPK12110108
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
    6.0605    8.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9101    7.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7597    7.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7597    8.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9101    9.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6091    7.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4585    7.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4585    8.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6091    9.0873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6091    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3077    9.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1735    8.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0396    9.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0396   10.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1735   10.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3077   10.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9050   10.5865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1735   11.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6454   11.5749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3717   10.5617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3551    8.5648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7612    9.0790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5543    7.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7669   10.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6370   10.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5017   10.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4932    9.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6231    8.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6148    7.5764    0.0000 C   0  0  0  0  0  0  0  0  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
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 24 30  1  0     0  0
 29 23  1  0     0  0
 23 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  1     0  0
 25 18  1  1     0  0
 26 20  1  6     0  0
 27 21  1  1     0  0
 28 22  1  6     0  0
M  END
> <LM_ID>
LMPK12110108

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3',4'-Dihydroxyflavone 4'-glucoside

> <FORMULA>
C21H20O9

> <MASS>
416.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MFAATNHOXKDGNK-YMQHIKHWSA-N

> <INCHI>
InChI=1S/C21H20O9/c22-9-17-18(25)19(26)20(27)21(30-17)29-15-6-5-10(7-13(15)24)16-8-12(23)11-3-1-2-4-14(11)28-16/h1-8,17-22,24-27H,9H2/t17-,18-,19+,20-,21-/m1/s1

> <SMILES>
C1=CC2OC(C3C=C(O)C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=CC(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10138011

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$