LMPK12111493
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.4860    6.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4828    6.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1308    5.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7823    6.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7856    6.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375    7.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4306    5.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0819    6.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0852    6.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4370    7.2510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4273    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7367    7.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3973    6.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0612    7.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0646    8.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4040    8.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7401    8.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1275    5.0056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6488    7.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7386    7.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375    8.0071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1490    8.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1877    7.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0273    7.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000    6.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1543    8.3802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7509    9.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3514    6.5475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5102    6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  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
  3 18  1  0  0  0  0
  2 25  1  0  0  0  0
 16 27  1  0  0  0  0
 14 29  1  0  0  0  0
 15 19  1  0  0  0  0
  6 21  1  0  0  0  0
  1 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111493

> <COMMON_NAME>
Gardenin A

> <SYSTEMATIC_NAME>
5-Hydroxy-3',4',5',6,7,8-hexamethoxyflavone

> <FORMULA>
C21H22O9

> <MASS>
418.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MQBFFYQCZCKSBX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H22O9/c1-24-13-7-10(8-14(25-2)17(13)26-3)12-9-11(22)15-16(23)19(27-4)21(29-6)20(28-5)18(15)30-12/h7-9,23H,1-6H3

> <SMILES>
C1(OC)=C(OC)C2OC(C3C=C(OC)C(OC)=C(OC)C=3)=CC(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
261859

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$