LMPK12111614
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    6.0606    8.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8989    7.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7371    7.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7371    8.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8989    9.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5752    7.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4135    7.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4135    8.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5752    9.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5752    6.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2514    9.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1057    8.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9600    9.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9600   10.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1057   10.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2514   10.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5143    6.9336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8139   10.5695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5853   10.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3901    6.2357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7236    4.2620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1832    2.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9098    5.3087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6480    2.7483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6820    5.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6198    5.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7857    4.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0155    3.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0777    4.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3074    3.6890    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
 18  8  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 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  0     0  0
 30 31  1  1     0  0
 26 18  1  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
M  END
> <LM_ID>
LMPK12111614

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3-Hydroxy-4'-methoxyflavone 3-glucoside

> <FORMULA>
C22H22O9

> <MASS>
430.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CXAPKJYBBQEZLT-LNBCOLIQSA-N

> <INCHI>
InChI=1S/C22H22O9/c1-28-12-8-6-11(7-9-12)20-21(16(24)13-4-2-3-5-14(13)29-20)31-22-19(27)18(26)17(25)15(10-23)30-22/h2-9,15,17-19,22-23,25-27H,10H2,1H3/t15-,17-,18+,19-,22+/m1/s1

> <SMILES>
C1=CC2OC(C3C=CC(OC)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163000025

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$